data_2yrg_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 2yrg _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 15' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.627 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 8.6 m80 -79.37 124.79 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.9 t -52.64 119.96 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.5 -4.28 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -97.63 -46.41 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.542 ' CD2' HD13 ' A' ' 38' ' ' LEU . 68.9 m80 -108.75 -36.31 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.25 8.11 50.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.16 145.18 25.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.627 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 31.9 mtpt -60.66 130.43 46.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 35' ' ' ILE . 18.1 mt -87.63 102.08 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 mt -117.96 2.91 12.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 mt -112.21 152.94 27.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' PHE . 40.6 t80 -127.32 110.95 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.77 137.95 42.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -87.1 -49.55 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -49.85 -36.92 28.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.05 -35.95 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.04 26.95 42.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -125.19 177.12 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.6 118.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.427 ' C ' HD23 ' A' ' 24' ' ' LEU . 43.5 pt -115.4 167.52 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.85 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -52.18 -61.95 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 20' ' ' HIS . 9.1 mt -49.35 -47.42 47.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.7 m -56.02 -54.38 45.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -51.56 -44.43 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -86.94 17.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -102.36 145.77 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -49.65 -17.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -72.29 -52.29 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.8 m-70 -111.02 17.95 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.1 ttp85 -58.2 129.11 40.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.49 -20.84 9.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.2 m170 -62.88 135.34 57.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -86.59 117.23 25.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -112.9 157.27 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' PHE . 86.2 m-85 -126.28 146.89 57.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 2.8 m80 -79.63 129.07 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.6 t -57.47 122.76 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.81 -3.04 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 50.5 ttt85 -97.88 -44.37 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.433 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 23.2 m80 -117.9 -32.92 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.48 -11.63 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 145.25 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 38.5 mttt -63.1 126.2 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.58 102.01 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 mt -117.99 1.49 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 mt -113.03 158.78 19.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -133.58 114.95 14.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.37 135.39 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -88.31 -40.33 13.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.57 -41.13 84.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.55 -24.13 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.58 28.28 65.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.79 155.69 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.34 136.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 27.9 pt -133.19 147.94 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 p -94.44 179.0 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -50.66 -54.24 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 38' ' ' LEU . 4.2 mm? -52.62 -44.73 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.456 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 61.4 m -63.62 -54.72 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.81 -46.08 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -82.58 17.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -106.56 137.18 45.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -47.32 -19.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.23 -45.7 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 98.2 m-70 -117.92 14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.68 120.88 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -25.71 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.507 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.9 m170 -62.81 133.52 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -74.73 117.82 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -114.07 153.47 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.2 m-85 -139.91 148.51 55.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.695 0.76 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.222 0 C-N-CA 122.704 2.27 . . . . 0.0 112.34 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 1.8 m80 -80.11 127.76 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.5 t -56.32 124.45 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -1.54 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.1 ttt180 -98.74 -44.19 6.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 24.4 m80 -117.83 -34.42 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 105.97 -13.33 45.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 145.04 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.4 mtpm? -61.81 135.56 57.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.18 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 mt -117.61 -6.35 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.3 156.12 18.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -128.83 114.5 16.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.36 135.09 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.8 -39.82 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.62 -41.47 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.72 -21.72 14.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.71 26.08 73.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.05 144.39 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.27 131.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.3 pt -128.33 153.18 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 p -97.64 174.86 6.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -47.68 -56.27 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -49.44 -49.21 46.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.4 -59.35 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -48.22 -42.39 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.09 -13.83 58.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -76.61 134.4 39.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -45.89 -20.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -45.6 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 78.2 m-70 -115.82 17.78 15.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.426 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -71.94 141.19 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -24.19 4.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.7 m170 -63.07 141.06 58.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -81.03 116.73 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 p -119.59 151.03 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.3 m-85 -133.93 147.78 65.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.201 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.2 m80 -75.37 130.28 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.8 t -56.37 125.79 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -2.36 25.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 62.3 ttt180 -98.88 -43.83 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.554 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 31.2 m80 -117.97 -34.02 4.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.555 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 107.5 -16.99 37.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 141.59 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 28.3 mtpt -60.31 137.43 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.9 105.58 17.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.1 mt -116.26 -4.39 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.6 mt -108.04 162.19 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -135.11 107.54 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 2.0 t -69.48 134.56 49.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -91.39 -38.15 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -60.57 -35.97 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.3 -23.29 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 71.3 34.83 63.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -137.31 141.67 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.07 129.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 50.4 pt -131.4 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -97.97 179.46 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.74 -53.51 54.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 38' ' ' LEU . 3.1 mm? -52.17 -41.24 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.404 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.2 m -67.13 -60.05 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -48.34 -42.55 31.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -75.56 -17.34 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -70.78 138.79 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -49.76 -19.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -70.66 -41.22 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 86.5 m-70 -117.95 17.99 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -65.72 141.64 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.56 19.97 65.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.507 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.2 m170 -98.16 134.71 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -66.98 120.49 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -127.13 146.3 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.4 144.76 54.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 5.7 m80 -77.68 127.52 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.1 t -57.92 127.69 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.78 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -101.12 -41.12 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 39.1 m80 -118.05 -35.17 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 105.82 -13.93 45.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 145.12 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 12.2 mtpp -64.21 137.33 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.76 103.26 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 mt -117.12 -2.29 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.01 166.33 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -139.3 109.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.77 137.85 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.455 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -92.49 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.37 -38.39 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -104.34 -19.19 14.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.61 32.7 84.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.61 139.74 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -60.73 131.83 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 50' ' ' THR . 49.2 pt -132.14 154.29 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -95.79 178.92 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -53.46 -54.47 36.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.5 mm? -53.22 -37.88 62.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.425 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 26.2 m -70.07 -59.65 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.5 tm-20 -51.08 -37.96 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -86.16 -16.94 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.1 m -67.64 149.7 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.404 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 24.0 tt0 -59.71 -9.18 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 91.2 m-70 -111.73 17.74 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 22.6 ttt180 -60.99 134.31 56.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.4 17.45 77.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.4 m170 -100.02 137.59 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 19.0 m80 -77.9 122.96 26.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.462 ' CG2' HD13 ' A' ' 35' ' ' ILE . 19.1 p -118.19 140.63 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.95 143.38 36.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.606 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 2.6 m80 -83.39 124.8 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.0 t -53.44 129.07 31.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 2.83 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 46.1 ttt85 -108.94 -37.8 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.467 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 49.4 m80 -117.77 -33.24 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.73 -11.44 61.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.61 149.87 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.606 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 20.1 mtmm -68.64 136.92 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 36' ' ' CYS . 13.4 mt -94.69 105.83 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -118.04 -0.8 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.4 mt -111.38 141.0 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -106.45 116.13 31.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.15 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -86.47 -32.01 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.66 -30.26 71.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -116.16 -25.61 7.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.82 26.76 55.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 2.4 ptmt -132.0 151.66 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.66 115.23 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 27.8 pt -105.97 165.82 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.454 ' N ' HD21 ' A' ' 24' ' ' LEU . 19.5 p -107.55 178.69 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -50.18 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -47.55 -43.98 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 m -61.59 -59.06 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 2.3 tm-20 -51.41 -42.16 61.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -83.27 -9.04 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -81.51 147.58 29.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -56.42 -18.19 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.6 -44.57 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.0 m-70 -117.19 17.96 14.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -62.36 140.27 58.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.54 27.08 63.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 22.1 m170 -99.34 136.29 39.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.26 121.61 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.4 p -133.66 145.69 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -137.76 148.85 62.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.9 m80 -82.06 132.09 35.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.9 t -58.93 128.81 39.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.38 0.32 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -102.64 -41.47 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -117.88 -35.21 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 104.42 -12.7 51.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 142.31 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 55.0 mtpt -59.9 135.03 57.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 35' ' ' ILE . 9.0 mt -88.39 103.06 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt -117.96 12.57 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.14 143.81 51.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -118.78 108.25 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.7 t -71.41 136.77 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -88.67 -43.6 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.2 -38.32 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -100.31 -33.35 10.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 28.39 40.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.16 175.14 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.53 119.39 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.435 HG21 ' NE2' ' A' ' 45' ' ' HIS . 29.6 pt -113.37 166.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.04 174.54 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -44.86 -64.03 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.36 -48.29 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.79 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.35 -41.54 80.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -86.3 16.36 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' GLU . 1.7 m -114.7 135.52 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' SER . 33.1 tt0 -54.89 -49.93 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.1 m-70 -118.03 14.73 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -61.78 127.0 29.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.27 18.26 78.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.1 m170 -97.42 138.09 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -70.33 113.3 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 66.9 p -117.87 156.64 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 50' ' ' THR . 2.9 m-85 -148.03 144.52 19.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.511 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 10.6 m-70 -85.59 134.86 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 18.4 t -58.14 120.93 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -9.37 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 36.1 ttt85 -92.74 -54.62 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' HD11 ' A' ' 38' ' ' LEU . 49.6 m80 -99.41 -40.5 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.89 9.08 46.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 150.17 25.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 34.5 mtpt -62.41 123.64 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -83.11 102.63 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -116.92 -0.04 12.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.446 HD13 ' CE3' ' A' ' 37' ' ' TRP . 18.9 mt -111.44 163.57 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -137.63 108.03 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.37 129.3 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -85.2 -42.06 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -56.84 -41.18 77.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.79 -21.28 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.81 30.52 70.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.34 148.2 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.3 135.92 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -135.6 156.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.56 174.01 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CE3' HD13 ' A' ' 26' ' ' LEU . 2.0 m95 -48.06 -64.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 20' ' ' HIS . 8.2 mt -45.41 -40.36 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.94 -51.71 56.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.7 -43.34 76.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -76.59 -10.78 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 t -77.2 136.15 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -49.75 -18.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.98 -43.39 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.561 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 86.4 m-70 -117.38 17.9 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -67.06 140.94 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.41 -26.11 3.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.9 m170 -63.06 137.56 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -86.29 128.84 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 p -125.34 157.09 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -124.3 146.75 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.0 m80 -77.67 131.23 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.6 t -59.39 127.16 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.05 1.6 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -105.94 -41.36 5.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 36.3 m80 -118.03 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -16.03 56.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.4 143.69 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.631 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 5.8 mtpm? -64.05 129.98 42.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.0 102.75 12.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.6 mt -118.02 2.41 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.03 151.6 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.85 112.5 17.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.7 t -74.14 133.65 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -88.43 -39.14 14.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.72 -38.21 81.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -105.53 -20.42 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.44 29.92 73.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' CD ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -132.75 149.86 52.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.8 130.21 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.488 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 44.1 pt -132.57 153.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.72 178.5 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -54.08 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -51.27 -33.78 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 36.0 m -78.44 -57.44 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -50.77 -37.67 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -80.61 -12.8 59.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -72.03 142.53 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.502 ' CG ' ' NH1' ' A' ' 46' ' ' ARG . 18.0 tm0? -56.39 -12.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -73.39 -40.46 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.7 m-70 -107.79 17.97 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 43' ' ' GLN . 8.2 ttm180 -59.04 130.95 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.44 19.74 79.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.3 m170 -100.36 128.25 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.73 127.86 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -124.92 157.95 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 8.0 m-85 -140.7 147.03 47.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 8.4 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.533 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 2.6 m80 -75.66 128.63 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -60.57 125.29 23.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.91 -1.27 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.545 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 14.5 ttt85 -99.75 -41.1 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.545 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 44.5 m80 -117.91 -36.45 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.44 53.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 146.01 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 27.1 mtpt -61.26 122.2 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 33.5 mt -79.1 102.29 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 mt -117.28 0.17 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.4 mt -112.07 162.55 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -136.2 106.82 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' GLY . 2.3 t -72.23 126.66 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -79.09 -59.41 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.83 -39.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -103.89 -23.55 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' CYS . . . 69.34 30.75 71.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.3 153.01 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -77.36 133.34 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.42 ' C ' HD21 ' A' ' 24' ' ' LEU . 18.5 pt -134.13 156.74 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.2 p -96.47 178.97 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -52.98 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 20' ' ' HIS . 9.7 mt -46.1 -43.65 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 m -59.78 -54.12 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.8 -4.02 25.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -91.12 133.43 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.4 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 1.6 tm0? -48.22 -18.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 45' ' ' HIS . 2.3 pt-20 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 76.3 m-70 -117.42 17.86 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.4 ' CG ' ' HA ' ' A' ' 43' ' ' GLN . 16.1 ptt85 -70.68 142.52 51.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.54 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.34 137.76 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -77.13 122.51 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.6 p -115.76 158.59 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.97 145.88 49.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.576 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 m80 -80.21 126.1 30.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' GLY . 15.1 t -59.09 118.42 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -2.54 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.0 ttt180 -97.97 -48.02 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.9 m80 -113.6 -32.23 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 103.61 -14.03 53.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 144.92 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 mtpt -68.68 120.92 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.99 102.04 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 mt -117.91 -5.63 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.636 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 1.5 mm? -105.35 124.19 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -94.52 114.42 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 3.1 t -75.56 138.43 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -91.4 -40.88 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 48' ' ' HIS . 2.7 tt0 -58.33 -41.77 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.16 -35.36 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 88.4 21.26 45.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.48 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 6.4 ptmt -122.91 153.2 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.41 107.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.48 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 21.9 pt -101.12 166.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' CYS . 11.6 p -112.1 162.2 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.636 ' CZ3' ' CD2' ' A' ' 26' ' ' LEU . 4.8 m95 -37.1 -64.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -45.08 -36.41 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' CYS . 65.9 m -75.49 -54.92 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' HG22 ' A' ' 50' ' ' THR . 6.0 tp10 -52.79 -38.24 60.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 41' ' ' ARG . 4.1 ppt_? -82.69 -13.93 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 t -71.35 147.68 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.11 -8.45 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -79.2 -40.74 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 92.8 m-70 -108.5 17.98 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -60.78 137.94 58.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 -23.89 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 11.6 m170 -64.36 125.77 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.7 123.75 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.411 HG22 ' CD ' ' A' ' 40' ' ' GLU . 21.6 p -110.65 149.91 29.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.9 m-85 -132.69 144.6 53.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.648 0.737 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 31.0 m80 -82.68 126.36 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -51.96 134.01 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.7 1.44 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -108.84 -34.47 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 62.4 m80 -117.74 -34.72 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.17 14.32 51.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -93.15 145.99 24.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 34.9 mtpt -65.13 120.15 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 35' ' ' ILE . 8.3 mt -76.75 102.32 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -118.04 -2.37 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 36.6 mt -108.79 139.03 44.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -110.6 114.18 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.48 134.61 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -88.9 -30.54 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.52 -39.34 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.62 -35.97 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.97 36.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -122.91 160.95 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -83.5 109.44 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 10.1 pt -103.3 166.03 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.1 174.45 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -44.37 -62.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.4 mm? -46.75 -48.24 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.0 m -59.85 -46.75 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.5 -41.56 85.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -93.17 17.98 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ARG . 1.7 m -108.34 142.64 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 52.9 tt0 -48.8 -24.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.76 -49.0 78.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 95.0 m-70 -117.39 18.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' HG3' ' O ' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -60.05 138.83 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.2 19.05 69.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 24.6 m170 -98.17 144.34 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 29' ' ' GLN . 5.5 m80 -81.84 121.31 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 p -117.49 148.54 41.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -130.39 142.09 44.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.721 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.555 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.7 m80 -76.96 128.04 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.9 t -56.74 125.87 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.26 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -105.89 -41.18 5.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 52.2 m80 -117.51 -31.09 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -17.8 54.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.99 142.22 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.9 mtpm? -62.41 137.39 58.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -89.77 103.38 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 mt -117.92 -5.0 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.83 162.49 13.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' PHE . 33.7 t80 -132.8 111.12 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 15.5 t -71.77 139.04 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.38 -40.01 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.29 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.94 -24.36 12.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 72.17 29.27 66.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.541 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 148.17 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -70.44 128.47 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 35.5 pt -129.62 157.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.5 179.63 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -52.99 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -47.81 -39.61 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.8 m -70.66 -56.6 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.11 -25.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -100.0 -16.13 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -59.46 147.94 34.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.95 -21.83 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -73.43 -48.12 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.453 ' HA ' ' ND1' ' A' ' 48' ' ' HIS . 96.0 m-70 -101.01 18.02 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 128.7 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.0 -20.31 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.453 ' ND1' ' HA ' ' A' ' 45' ' ' HIS . 19.3 m170 -62.25 129.07 39.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -82.56 129.8 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.3 p -123.06 157.18 33.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 27' ' ' PHE . 48.9 m-85 -129.59 147.29 64.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.352 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.57 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 5.3 m80 -75.38 128.02 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLY . 49.8 t -56.91 124.62 19.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 2.89 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -112.82 -38.07 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 51.2 m80 -117.94 -26.53 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 88.84 -14.18 60.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.6 139.69 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 16.0 mtmt -60.11 125.37 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.9 102.37 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.68 -0.39 11.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.0 145.62 39.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -118.65 115.27 24.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.19 136.12 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -91.81 -38.86 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -60.04 -38.96 84.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -105.11 -21.48 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.05 66.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.76 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.57 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 41.9 pt -132.02 153.96 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.8 p -97.95 176.4 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -47.84 -60.43 2.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -45.33 -42.7 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 59.1 m -67.79 -58.28 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -47.83 -42.29 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -77.56 -17.73 57.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -71.4 134.79 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -48.54 -19.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.03 -41.76 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 83.9 m-70 -117.99 17.94 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptt-85 -70.04 139.05 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.58 -23.72 4.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.0 m170 -62.9 136.62 57.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -81.3 119.38 23.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.1 p -119.1 148.97 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 7.2 m-85 -126.88 147.89 63.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.674 0.75 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.2 m80 -72.02 125.5 27.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.9 t -57.45 118.33 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -2.81 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 17.4 ttt180 -98.0 -45.29 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 31.2 m80 -117.86 -28.74 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 102.03 -15.62 56.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.62 142.48 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 8.2 mtpp -66.73 116.28 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 HD22 ' C ' ' A' ' 35' ' ' ILE . 6.6 mt -67.76 104.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -116.96 -4.18 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.617 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -108.02 126.75 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.04 109.15 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.45 127.84 33.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -84.2 -44.18 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 18.3 mp0 -53.14 -36.98 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -106.94 -31.67 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.76 53.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -124.64 151.5 44.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.944 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -76.73 111.0 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 36.3 pt -105.74 169.89 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' CYS . 14.1 p -119.16 160.19 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CZ3' ' CD2' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -37.27 -53.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.1 mm? -51.51 -37.54 49.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.5 m -79.89 -56.91 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -38.45 33.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -77.88 -21.45 51.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -72.22 146.63 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -53.64 -24.83 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.21 -41.98 98.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.54 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 89.7 m-70 -117.89 12.86 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.47 133.5 54.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.47 81.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 29.4 m170 -96.85 135.64 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 19.4 m80 -63.82 118.88 8.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' A' ' 26' ' ' LEU . 9.2 p -125.74 141.43 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -140.83 146.37 43.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.707 0.765 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 76.4 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.45 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 13.2 m170 -81.76 130.16 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -58.49 120.45 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.21 -11.43 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -88.87 -55.3 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 58.9 m80 -97.97 -43.11 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.79 -3.98 32.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 152.35 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 36.5 mtpt -70.88 123.3 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 36' ' ' CYS . 22.1 mt -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.9 mt -117.68 -7.22 11.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.34 157.59 17.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -129.27 110.89 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.38 137.0 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.15 -39.98 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.82 -41.51 86.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -101.83 -24.1 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.09 29.28 64.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.53 143.82 48.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.38 134.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 pt -130.97 153.6 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' HD21 ' A' ' 24' ' ' LEU . 25.8 p -94.85 178.25 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.11 -45.82 71.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.3 mm? -58.22 -46.97 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.2 m -63.77 -59.88 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 6.9 tm-20 -46.2 -47.38 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 41' ' ' ARG . 1.8 ptt180 -71.2 -22.41 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ARG . 7.9 t -71.54 133.08 45.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -42.69 -30.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -56.33 -44.02 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 79.5 m-70 -117.96 9.29 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 ttt-85 -64.49 138.25 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 -23.35 6.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 23.1 m170 -63.91 136.51 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -79.01 115.73 18.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -118.04 152.46 35.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -126.8 147.02 59.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.667 0.746 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.986 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 42.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.84 0.352 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 8.6 m170 -83.38 130.73 35.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 30.5 t -59.85 121.97 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.93 -3.98 32.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -97.39 -44.19 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 54.8 m80 -111.55 -37.31 5.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 98.39 8.82 54.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.85 142.07 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 15.5 mtpp -59.93 120.83 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 29.1 mt -77.85 101.96 7.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.7 5.54 12.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.8 mt -115.85 168.6 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -143.85 105.54 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -67.06 136.29 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.25 -34.2 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 7.1 mm-40 -64.43 -36.29 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.99 -22.54 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.77 65.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.16 143.89 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 110.873 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.57 131.85 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 31.3 pt -130.62 150.5 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -95.88 178.86 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' N ' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -49.25 -60.34 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.1 mm? -46.73 -47.72 20.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 53.5 m -59.16 -46.0 89.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.47 -38.97 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.24 17.4 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLU . 5.9 t -117.03 126.26 52.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' SER . 41.6 mt-30 -35.25 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' SER . 15.8 tt0 -50.33 -48.28 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 89.9 m-70 -117.84 -1.75 11.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -53.62 131.02 38.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.97 12.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.6 m170 -63.8 154.48 33.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -91.54 118.73 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.5 p -110.26 147.71 33.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -130.7 143.38 49.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.82 129.25 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -58.76 126.58 28.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 -2.39 30.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 51.2 ttt85 -96.75 -44.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.423 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 22.5 m80 -117.96 -37.07 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 112.05 -14.64 26.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 142.21 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 32.1 mtpt -60.54 140.69 57.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 35' ' ' ILE . 8.3 mt -93.94 102.08 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -110.5 -4.31 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.427 HD12 ' CE3' ' A' ' 37' ' ' TRP . 5.3 mt -108.84 157.82 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -130.76 111.32 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.93 135.32 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -90.82 -38.95 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -38.31 80.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.21 -22.49 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.94 29.58 68.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -132.04 142.49 49.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.74 128.45 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 ' C ' HD23 ' A' ' 24' ' ' LEU . 26.4 pt -126.32 157.9 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.175 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.0 p -100.57 179.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.436 ' CZ2' HD11 ' A' ' 25' ' ' LEU . 2.0 m95 -52.4 -59.59 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -46.57 -42.08 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.1 m -67.02 -61.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -47.04 -45.29 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -71.52 138.5 48.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 16.5 tm0? -54.74 -13.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.21 -39.0 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 62.1 m-70 -117.93 3.89 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.452 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.55 144.31 51.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -27.96 3.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.92 133.6 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -73.58 113.36 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.9 p -111.95 152.7 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -136.2 147.7 61.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.751 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.59 124.02 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.9 t -56.52 123.9 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.94 -2.27 23.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -98.07 -43.85 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 34.9 m80 -117.97 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 106.95 -13.4 41.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 143.88 57.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 44.5 mtpt -65.7 122.74 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 35' ' ' ILE . 10.1 mt -73.53 102.02 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -118.0 -1.11 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.578 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.2 mm? -111.8 129.99 55.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -105.18 106.15 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 8.7 t -64.5 138.44 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -90.58 -39.52 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.68 -50.1 74.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -91.66 -25.05 19.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 74.31 25.09 71.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -126.86 147.13 50.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.954 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.24 124.44 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.421 ' C ' HD22 ' A' ' 24' ' ' LEU . 41.0 pt -125.5 161.18 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.22 167.8 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.578 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 3.1 m95 -45.14 -54.93 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.5 mm? -49.75 -41.74 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.82 -47.25 60.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.3 tm-20 -58.32 -40.64 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.55 -3.75 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 t -88.28 138.76 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -49.09 -29.36 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -55.19 -35.1 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 82.0 m-70 -118.01 5.85 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.454 ' CB ' ' HA ' ' A' ' 43' ' ' GLN . 2.6 tpm_? -58.49 125.46 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.82 65.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.7 m170 -100.71 120.88 40.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -63.4 120.72 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 p -111.72 139.77 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.2 m-85 -125.17 141.81 39.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.524 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 10.7 m-70 -87.47 129.08 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 t -55.01 122.93 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -6.89 29.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -98.16 -51.33 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 38' ' ' LEU . 56.7 m80 -98.15 -42.33 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.95 17.06 31.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.31 150.59 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.405 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 42.0 mtpt -63.01 124.48 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.471 HD21 ' N ' ' A' ' 36' ' ' CYS . 21.0 mt -87.23 103.8 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 mt -118.03 13.02 13.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.18 144.1 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -119.13 109.49 15.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -67.59 142.51 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 pp0? -93.4 -40.55 10.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 5.3 mm-40 -59.31 -41.62 89.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -99.28 -36.92 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.83 31.91 22.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 3.2 ptmt -129.79 168.58 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.97 115.56 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.476 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 18.9 pt -109.44 158.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' HD21 ' A' ' 24' ' ' LEU . 15.2 p -106.79 179.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -52.53 -50.0 63.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HB3' ' NE2' ' A' ' 20' ' ' HIS . 4.0 mm? -57.55 -47.65 81.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 m -61.78 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.81 -40.75 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -89.82 16.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ARG . 18.9 t -110.54 141.76 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -46.39 -30.68 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.85 -48.86 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.4 m-70 -117.97 13.58 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 42' ' ' SER . 39.5 ttm-85 -61.34 124.91 21.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.02 14.72 74.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 25.4 m170 -96.66 139.21 33.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -79.55 111.48 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -115.27 153.18 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -135.56 150.73 72.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -147.03 129.54 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.06 164.17 10.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -93.28 -43.69 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -121.05 111.31 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.07 59.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -140.8 135.32 15.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.28 36.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -86.79 14.19 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.61 143.62 22.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.08 102.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.343 . . . . 0.0 110.943 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.488 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 34.5 mtmt -70.34 102.19 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.3 p -130.38 108.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 53.17 47.87 23.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.627 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 8.6 m80 -79.37 124.79 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.9 t -52.64 119.96 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.5 -4.28 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -97.63 -46.41 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.542 ' CD2' HD13 ' A' ' 38' ' ' LEU . 68.9 m80 -108.75 -36.31 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.25 8.11 50.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.16 145.18 25.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.627 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 31.9 mtpt -60.66 130.43 46.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.427 HD23 ' C ' ' A' ' 35' ' ' ILE . 18.1 mt -87.63 102.08 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 61.3 mt -117.96 2.91 12.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 mt -112.21 152.94 27.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' PHE . 40.6 t80 -127.32 110.95 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 45.4 t -74.77 137.95 42.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -87.1 -49.55 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -49.85 -36.92 28.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -103.05 -35.95 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.04 26.95 42.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.1 ptpp? -125.19 177.12 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.6 118.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.427 ' C ' HD23 ' A' ' 24' ' ' LEU . 43.5 pt -115.4 167.52 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.85 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -52.18 -61.95 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.542 HD13 ' CD2' ' A' ' 20' ' ' HIS . 9.1 mt -49.35 -47.42 47.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.7 m -56.02 -54.38 45.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -51.56 -44.43 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -86.94 17.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -102.36 145.77 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -49.65 -17.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -72.29 -52.29 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.446 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.8 m-70 -111.02 17.95 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.1 ttp85 -58.2 129.11 40.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.49 -20.84 9.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.446 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.2 m170 -62.88 135.34 57.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -86.59 117.23 25.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 43.6 p -112.9 157.27 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' PHE . 86.2 m-85 -126.28 146.89 57.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 112.45 3.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -72.22 -45.2 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t 59.25 43.9 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.31 -147.96 50.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 80.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -157.95 138.09 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.3 t -79.03 -57.33 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.459 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.9 p -36.88 -60.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m -121.15 139.35 53.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 -70.3 0.52 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m 60.95 43.65 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.2 156.84 24.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.74 107.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 m -95.55 139.87 22.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 52.0 40.53 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.12 125.65 18.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.18 107.89 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -68.64 106.59 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.415 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.5 p -139.62 105.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 53.58 47.86 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 2.8 m80 -79.63 129.07 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.6 t -57.47 122.76 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.81 -3.04 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.433 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 50.5 ttt85 -97.88 -44.37 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.433 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 23.2 m80 -117.9 -32.92 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.48 -11.63 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.92 145.25 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.432 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 38.5 mttt -63.1 126.2 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.9 mt -84.58 102.01 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 mt -117.99 1.49 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 mt -113.03 158.78 19.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -133.58 114.95 14.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.37 135.39 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -88.31 -40.33 13.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.57 -41.13 84.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.55 -24.13 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.58 28.28 65.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.556 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.79 155.69 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.34 136.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.456 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 27.9 pt -133.19 147.94 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 p -94.44 179.0 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -50.66 -54.24 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 38' ' ' LEU . 4.2 mm? -52.62 -44.73 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.456 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 61.4 m -63.62 -54.72 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.81 -46.08 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -82.58 17.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -106.56 137.18 45.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -47.32 -19.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.23 -45.7 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.556 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 98.2 m-70 -117.92 14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.68 120.88 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -25.71 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.507 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.9 m170 -62.81 133.52 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -74.73 117.82 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 38.7 p -114.07 153.47 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.2 m-85 -139.91 148.51 55.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.695 0.76 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 86.52 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.704 2.27 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.422 HG21 ' N ' ' A' ' 54' ' ' SER . 4.3 t -64.64 -37.45 87.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.422 ' N ' HG21 ' A' ' 53' ' ' THR . 95.3 p -86.73 -49.23 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.55 -172.14 0.36 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.13 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 m -93.32 -52.63 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -76.45 150.34 36.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -78.43 -58.54 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -146.98 144.8 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.2 177.51 17.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -82.06 150.73 27.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -81.06 -43.3 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.29 153.22 11.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.0 p -107.08 125.59 32.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -14.86 36.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.407 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 16.39 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -126.99 109.86 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.81 110.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.943 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -99.95 107.5 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.413 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.2 p -142.36 102.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 56.85 47.91 17.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 1.8 m80 -80.11 127.76 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.5 t -56.32 124.45 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -1.54 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.1 ttt180 -98.74 -44.19 6.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 24.4 m80 -117.83 -34.42 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 105.97 -13.33 45.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 145.04 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.904 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.476 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.4 mtpm? -61.81 135.56 57.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.7 mt -90.18 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.3 mt -117.61 -6.35 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.3 156.12 18.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -128.83 114.5 16.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -76.36 135.09 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.8 -39.82 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.62 -41.47 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.72 -21.72 14.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.71 26.08 73.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.572 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.05 144.39 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -67.27 131.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.3 pt -128.33 153.18 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 p -97.64 174.86 6.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -47.68 -56.27 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -49.44 -49.21 46.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.4 -59.35 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -48.22 -42.39 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -80.09 -13.83 58.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -76.61 134.4 39.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -45.89 -20.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -45.6 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 78.2 m-70 -115.82 17.78 15.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.426 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -71.94 141.19 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -24.19 4.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.7 m170 -63.07 141.06 58.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -81.03 116.73 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 p -119.59 151.03 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.3 m-85 -133.93 147.78 65.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 79.82 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.438 HG23 ' N ' ' A' ' 54' ' ' SER . 8.0 t -61.7 -40.19 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.438 ' N ' HG23 ' A' ' 53' ' ' THR . 5.8 m -129.76 176.29 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.79 95.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.82 3.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 p -97.25 157.13 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.4 p -137.81 176.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -87.8 -48.49 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -145.97 143.73 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 172.08 14.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -63.17 -57.52 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 p -116.51 158.18 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.37 -119.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.564 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 24.9 t 64.75 46.96 0.61 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.9 Cg_endo -69.73 -9.07 25.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 1.8 tm-20 -92.17 17.59 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.64 137.81 2.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -105.48 128.54 53.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.539 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 11.3 ptpt -54.52 104.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.3 p -138.05 102.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.64 47.83 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.2 m80 -75.37 130.28 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.8 t -56.37 125.79 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -2.36 25.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.554 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 62.3 ttt180 -98.88 -43.83 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.554 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 31.2 m80 -117.97 -34.02 4.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.555 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 107.5 -16.99 37.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 141.59 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.566 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 28.3 mtpt -60.31 137.43 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.9 105.58 17.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.1 mt -116.26 -4.39 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.6 mt -108.04 162.19 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -135.11 107.54 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.411 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 2.0 t -69.48 134.56 49.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -91.39 -38.15 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -60.57 -35.97 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.3 -23.29 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.411 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 71.3 34.83 63.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -137.31 141.67 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.0 m -67.07 129.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.414 ' CG2' ' HD3' ' A' ' 33' ' ' LYS . 50.4 pt -131.4 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -97.97 179.46 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.74 -53.51 54.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.409 ' N ' HD23 ' A' ' 38' ' ' LEU . 3.1 mm? -52.17 -41.24 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.404 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.2 m -67.13 -60.05 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -48.34 -42.55 31.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 15.7 ptt85 -75.56 -17.34 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -70.78 138.79 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -49.76 -19.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -70.66 -41.22 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.56 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 86.5 m-70 -117.95 17.99 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -65.72 141.64 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.56 19.97 65.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.507 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.2 m170 -98.16 134.71 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -66.98 120.49 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -127.13 146.3 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.4 144.76 54.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.419 HG21 ' N ' ' A' ' 54' ' ' SER . 6.9 t -61.68 -36.77 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 53' ' ' THR . 2.0 m -92.68 -41.09 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.05 137.67 45.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -107.97 145.3 34.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 p -98.61 177.41 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m -121.39 139.2 53.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.376 . . . . 0.0 110.898 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -143.13 137.5 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.05 61.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -106.33 148.32 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -73.4 -47.75 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.31 167.49 37.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -61.57 152.8 73.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.7 0.762 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.87 175.52 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.73 -40.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.42 ' HG3' ' NZ ' ' A' ' 23' ' ' LYS . 23.4 pt20 -80.76 115.43 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.41 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -91.93 103.44 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.7 p -132.78 105.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 54.63 47.53 22.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.571 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 5.7 m80 -77.68 127.52 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.1 t -57.92 127.69 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.78 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -101.12 -41.12 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.475 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 39.1 m80 -118.05 -35.17 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 105.82 -13.93 45.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.67 145.12 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.832 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 12.2 mtpp -64.21 137.33 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.76 103.26 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 mt -117.12 -2.29 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 89.0 mt -108.01 166.33 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -139.3 109.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.77 137.85 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.455 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -92.49 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.37 -38.39 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -104.34 -19.19 14.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.61 32.7 84.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.61 139.74 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.3 m -60.73 131.83 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.462 HD13 ' CG2' ' A' ' 50' ' ' THR . 49.2 pt -132.14 154.29 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -95.79 178.92 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -53.46 -54.47 36.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.5 mm? -53.22 -37.88 62.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.425 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 26.2 m -70.07 -59.65 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.5 tm-20 -51.08 -37.96 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -86.16 -16.94 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.402 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.1 m -67.64 149.7 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.404 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 24.0 tt0 -59.71 -9.18 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.519 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 91.2 m-70 -111.73 17.74 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 22.6 ttt180 -60.99 134.31 56.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.4 17.45 77.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.4 m170 -100.02 137.59 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 19.0 m80 -77.9 122.96 26.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.462 ' CG2' HD13 ' A' ' 35' ' ' ILE . 19.1 p -118.19 140.63 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.95 143.38 36.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -66.36 -37.11 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.0 t -147.49 108.3 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.88 94.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 96.93 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -115.89 118.15 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -80.06 10.27 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.468 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -122.45 152.73 39.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -52.04 105.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.67 134.85 29.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -109.63 114.57 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -50.98 -51.11 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.42 -39.52 3.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 m -91.61 157.04 42.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.648 0.737 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.17 32.37 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -121.64 154.41 36.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.15 137.0 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -92.89 112.81 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 105.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.458 HG11 ' CD ' ' A' ' 23' ' ' LYS . 2.5 p -144.64 102.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 52.01 46.39 26.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.606 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 2.6 m80 -83.39 124.8 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.0 t -53.44 129.07 31.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 2.83 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.467 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 46.1 ttt85 -108.94 -37.8 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.467 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 49.4 m80 -117.77 -33.24 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.73 -11.44 61.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.61 149.87 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 20.1 mtmm -68.64 136.92 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 HD21 ' N ' ' A' ' 36' ' ' CYS . 13.4 mt -94.69 105.83 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -118.04 -0.8 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.4 mt -111.38 141.0 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -106.45 116.13 31.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.15 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -86.47 -32.01 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.66 -30.26 71.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -116.16 -25.61 7.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.82 26.76 55.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 2.4 ptmt -132.0 151.66 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.66 115.23 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.474 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 27.8 pt -105.97 165.82 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.454 ' N ' HD21 ' A' ' 24' ' ' LEU . 19.5 p -107.55 178.69 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -50.18 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -47.55 -43.98 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 m -61.59 -59.06 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 2.3 tm-20 -51.41 -42.16 61.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -83.27 -9.04 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -81.51 147.58 29.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -56.42 -18.19 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.6 -44.57 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.48 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.0 m-70 -117.19 17.96 14.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -62.36 140.27 58.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.54 27.08 63.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.48 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 22.1 m170 -99.34 136.29 39.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.26 121.61 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 10.4 p -133.66 145.69 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -137.76 148.85 62.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 80.64 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 t -73.39 -34.02 65.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 t -92.94 -44.73 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.407 ' HA2' ' HD2' ' A' ' 56' ' ' PRO . . . -38.46 109.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA2' ' A' ' 55' ' ' GLY . 53.9 Cg_endo -69.78 164.51 34.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.2 p -86.26 -45.73 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -39.18 -49.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.505 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -138.33 154.39 48.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -81.67 117.07 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.56 -71.99 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.424 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -143.16 134.73 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -125.48 126.02 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.14 33.37 1.92 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.671 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -65.76 -49.47 59.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.706 0.765 . . . . 0.0 110.908 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 8' ' ' SER . 53.3 Cg_endo -69.77 -22.54 31.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.87 158.29 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.97 -82.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -126.15 124.05 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -52.77 106.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.409 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 2.3 p -139.23 104.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 53.02 47.81 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.9 m80 -82.06 132.09 35.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.9 t -58.93 128.81 39.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.38 0.32 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -102.64 -41.47 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -117.88 -35.21 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 104.42 -12.7 51.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.3 142.31 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 55.0 mtpt -59.9 135.03 57.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.425 HD23 ' C ' ' A' ' 35' ' ' ILE . 9.0 mt -88.39 103.06 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt -117.96 12.57 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.14 143.81 51.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -118.78 108.25 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.7 t -71.41 136.77 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -88.67 -43.6 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.2 -38.32 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -100.31 -33.35 10.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 28.39 40.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.16 175.14 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -96.53 119.39 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.435 HG21 ' NE2' ' A' ' 45' ' ' HIS . 29.6 pt -113.37 166.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.04 174.54 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -44.86 -64.03 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -45.36 -48.29 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.79 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.35 -41.54 80.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -86.3 16.36 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' GLU . 1.7 m -114.7 135.52 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' SER . 33.1 tt0 -54.89 -49.93 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.483 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.1 m-70 -118.03 14.73 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -61.78 127.0 29.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.27 18.26 78.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.483 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.1 m170 -97.42 138.09 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -70.33 113.3 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.546 ' C ' ' CD1' ' A' ' 51' ' ' PHE . 66.9 p -117.87 156.64 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 50' ' ' THR . 2.9 m-85 -148.03 144.52 19.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.17 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 54' ' ' SER . 8.3 t -72.22 -31.69 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.461 ' N ' HG22 ' A' ' 53' ' ' THR . 43.5 p -117.93 -37.65 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.33 145.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.37 57.18 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 p -81.87 -50.59 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.0 p -98.06 115.14 27.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.534 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -95.11 145.92 24.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t 66.88 42.26 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.79 -138.59 0.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -167.66 156.15 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -141.84 125.31 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.9 40.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.551 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 11.5 m 62.14 47.96 1.13 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.812 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.8 Cg_endo -69.74 3.09 2.96 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.671 2.248 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -112.95 123.42 50.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.68 -140.88 3.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -113.62 114.83 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -62.02 102.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.552 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p -121.58 102.03 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 54.49 47.98 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.552 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 10.6 m-70 -85.59 134.86 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 18.4 t -58.14 120.93 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -9.37 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.417 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 36.1 ttt85 -92.74 -54.62 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.559 ' CD2' HD11 ' A' ' 38' ' ' LEU . 49.6 m80 -99.41 -40.5 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.89 9.08 46.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 150.17 25.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.511 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 34.5 mtpt -62.41 123.64 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -83.11 102.63 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 41.4 mt -116.92 -0.04 12.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 HD13 ' CE3' ' A' ' 37' ' ' TRP . 18.9 mt -111.44 163.57 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -137.63 108.03 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.2 t -69.37 129.3 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -85.2 -42.06 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -56.84 -41.18 77.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.79 -21.28 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.81 30.52 70.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.34 148.2 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.3 135.92 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.9 pt -135.6 156.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.56 174.01 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.446 ' CE3' HD13 ' A' ' 26' ' ' LEU . 2.0 m95 -48.06 -64.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD11 ' CD2' ' A' ' 20' ' ' HIS . 8.2 mt -45.41 -40.36 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.94 -51.71 56.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -55.7 -43.34 76.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 -76.59 -10.78 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 t -77.2 136.15 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -49.75 -18.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.98 -43.39 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.561 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 86.4 m-70 -117.38 17.9 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -67.06 140.94 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.41 -26.11 3.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.9 m170 -63.06 137.56 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -86.29 128.84 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 31.0 p -125.34 157.09 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -124.3 146.75 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 91.06 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.416 ' OG1' ' N ' ' A' ' 54' ' ' SER . 1.7 p -41.37 -56.84 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLY . 1.4 t -116.92 -16.6 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 57' ' ' SER . . . -35.57 153.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 11.76 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 55' ' ' GLY . 20.0 m 66.54 42.9 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m 60.48 39.47 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.457 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -96.14 160.44 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -54.46 141.6 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.16 179.28 20.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -121.7 166.79 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -106.03 112.88 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.6 93.11 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.7 m -95.37 106.67 27.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.689 0.756 . . . . 0.0 110.866 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -23.42 30.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLY . 31.9 mt-10 -78.3 118.48 20.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . -37.32 139.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -123.31 144.12 49.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -57.37 106.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 p -140.53 102.33 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 54.03 43.01 31.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.0 m80 -77.67 131.23 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.6 t -59.39 127.16 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.05 1.6 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -105.94 -41.36 5.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.562 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 36.3 m80 -118.03 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -16.03 56.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -61.4 143.69 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.631 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 5.8 mtpm? -64.05 129.98 42.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.0 102.75 12.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 16.6 mt -118.02 2.41 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.5 mt -117.03 151.6 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.85 112.5 17.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.7 t -74.14 133.65 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -88.43 -39.14 14.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.72 -38.21 81.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -105.53 -20.42 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.44 29.92 73.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' CD ' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -132.75 149.86 52.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -72.8 130.21 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.488 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 44.1 pt -132.57 153.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.72 178.5 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -51.16 -54.08 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.562 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -51.27 -33.78 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.488 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 36.0 m -78.44 -57.44 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -50.77 -37.67 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' C ' ' HD3' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -80.61 -12.8 59.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -72.03 142.53 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.502 ' CG ' ' NH1' ' A' ' 46' ' ' ARG . 18.0 tm0? -56.39 -12.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -73.39 -40.46 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.7 m-70 -107.79 17.97 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 43' ' ' GLN . 8.2 ttm180 -59.04 130.95 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.44 19.74 79.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.3 m170 -100.36 128.25 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.73 127.86 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -124.92 157.95 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 8.0 m-85 -140.7 147.03 47.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 t -63.16 -40.56 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' GLY . 98.0 p -96.61 -43.11 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.04 126.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.54 45.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -95.62 -43.2 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 t -125.34 111.39 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.514 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -119.09 128.48 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -102.77 154.12 19.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.92 -72.86 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -132.52 128.17 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -39.85 -44.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.15 -107.86 2.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -156.53 136.67 8.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.398 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 51.97 41.93 29.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.63 -88.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.1 104.96 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.545 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 10.3 pttp -133.7 108.12 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.3 p -142.34 103.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 8.4 t0 56.89 47.86 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 2.6 m80 -75.66 128.63 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -60.57 125.29 23.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.91 -1.27 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.545 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 14.5 ttt85 -99.75 -41.1 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.545 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 44.5 m80 -117.91 -36.45 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.44 53.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 146.01 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.533 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 27.1 mtpt -61.26 122.2 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 33.5 mt -79.1 102.29 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' C ' HG23 ' A' ' 53' ' ' THR . 60.5 mt -117.28 0.17 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.4 mt -112.07 162.55 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -136.2 106.82 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' GLY . 2.3 t -72.23 126.66 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -79.09 -59.41 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.83 -39.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -103.89 -23.55 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' CYS . . . 69.34 30.75 71.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.3 153.01 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -77.36 133.34 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.42 ' C ' HD21 ' A' ' 24' ' ' LEU . 18.5 pt -134.13 156.74 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.2 p -96.47 178.97 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -52.98 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.518 HD12 ' CD2' ' A' ' 20' ' ' HIS . 9.7 mt -46.1 -43.65 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 m -59.78 -54.12 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.8 -4.02 25.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -91.12 133.43 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.4 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 1.6 tm0? -48.22 -18.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.576 ' HG3' ' CD2' ' A' ' 45' ' ' HIS . 2.3 pt-20 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.576 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 76.3 m-70 -117.42 17.86 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.4 ' CG ' ' HA ' ' A' ' 43' ' ' GLN . 16.1 ptt85 -70.68 142.52 51.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.54 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.57 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.34 137.76 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -77.13 122.51 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.6 p -115.76 158.59 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.97 145.88 49.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 105.4 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.412 HG23 ' C ' ' A' ' 25' ' ' LEU . 1.2 p -58.6 -54.57 45.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' GLY . 19.3 m -117.31 -18.27 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.19 134.58 0.34 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 143.43 50.54 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.367 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.4 m -53.7 113.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -117.13 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.456 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -152.61 166.18 32.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -43.63 -47.18 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.74 -142.34 15.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -68.76 146.42 52.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -75.88 154.81 35.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.71 168.93 24.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.626 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -65.81 -52.1 44.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.74 -26.87 27.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -125.74 122.68 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.5 93.69 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.62 102.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 pttp -78.2 107.48 10.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.43 101.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 52.43 47.83 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.576 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 m80 -80.21 126.1 30.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' GLY . 15.1 t -59.09 118.42 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -2.54 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.425 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.0 ttt180 -97.97 -48.02 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.571 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.9 m80 -113.6 -32.23 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 103.61 -14.03 53.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 144.92 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.576 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 mtpt -68.68 120.92 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.2 mt -71.99 102.04 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 mt -117.91 -5.63 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.636 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 1.5 mm? -105.35 124.19 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -94.52 114.42 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.432 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 3.1 t -75.56 138.43 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -91.4 -40.88 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 48' ' ' HIS . 2.7 tt0 -58.33 -41.77 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.16 -35.36 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 88.4 21.26 45.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.48 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 6.4 ptmt -122.91 153.2 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.41 107.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.48 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 21.9 pt -101.12 166.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' O ' ' N ' ' A' ' 39' ' ' CYS . 11.6 p -112.1 162.2 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.636 ' CZ3' ' CD2' ' A' ' 26' ' ' LEU . 4.8 m95 -37.1 -64.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.571 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -45.08 -36.41 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' CYS . 65.9 m -75.49 -54.92 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' HG22 ' A' ' 50' ' ' THR . 6.0 tp10 -52.79 -38.24 60.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 41' ' ' ARG . 4.1 ppt_? -82.69 -13.93 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 t -71.35 147.68 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -61.11 -8.45 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -79.2 -40.74 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 92.8 m-70 -108.5 17.98 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 30.3 ttt-85 -60.78 137.94 58.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 -23.89 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 11.6 m170 -64.36 125.77 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.7 123.75 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.411 HG22 ' CD ' ' A' ' 40' ' ' GLU . 21.6 p -110.65 149.91 29.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.9 m-85 -132.69 144.6 53.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.648 0.737 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 80.13 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 54' ' ' SER . 8.7 t -69.19 -30.3 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.447 ' N ' HG22 ' A' ' 53' ' ' THR . 88.9 p -148.23 177.41 9.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.83 141.61 3.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.43 33.67 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -150.05 147.98 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.3 m -73.25 129.47 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -90.33 171.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -131.98 137.13 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.55 55.07 0.36 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -71.67 -57.37 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -96.25 161.55 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.84 148.25 4.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.1 m -76.55 144.31 73.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -17.45 37.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.92 109.24 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.08 -91.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -85.98 110.22 19.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 ptpp? -114.95 105.86 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -122.55 101.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.93 47.98 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 31.0 m80 -82.68 126.36 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -51.96 134.01 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.7 1.44 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -108.84 -34.47 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.511 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 62.4 m80 -117.74 -34.72 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.17 14.32 51.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -93.15 145.99 24.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 34.9 mtpt -65.13 120.15 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD23 ' C ' ' A' ' 35' ' ' ILE . 8.3 mt -76.75 102.32 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -118.04 -2.37 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 36.6 mt -108.79 139.03 44.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -110.6 114.18 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.48 134.61 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.483 ' HG2' ' CB ' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -88.9 -30.54 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.52 -39.34 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.62 -35.97 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.97 36.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE3' ' CG2' ' A' ' 35' ' ' ILE . 0.0 OUTLIER -122.91 160.95 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -83.5 109.44 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 ' CG2' ' HE3' ' A' ' 33' ' ' LYS . 10.1 pt -103.3 166.03 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.1 p -112.1 174.45 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -44.37 -62.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.4 mm? -46.75 -48.24 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.0 m -59.85 -46.75 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.5 -41.56 85.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -93.17 17.98 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ARG . 1.7 m -108.34 142.64 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.406 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 52.9 tt0 -48.8 -24.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.76 -49.0 78.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 95.0 m-70 -117.39 18.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -60.05 138.83 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.2 19.05 69.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 24.6 m170 -98.17 144.34 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.483 ' CB ' ' HG2' ' A' ' 29' ' ' GLN . 5.5 m80 -81.84 121.31 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 28.8 p -117.49 148.54 41.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -130.39 142.09 44.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.721 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.78 9.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 p -88.0 -50.16 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLY . 68.6 m -117.95 -17.69 9.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.36 109.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -92.83 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -160.52 161.2 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.458 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -164.19 177.33 8.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -132.6 125.59 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.85 166.08 32.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -120.87 146.5 46.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -132.57 115.97 16.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.49 -44.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.549 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 32.6 m 62.04 47.68 1.11 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.851 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.6 Cg_endo -69.83 -18.86 36.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -68.46 175.94 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.43 -143.47 3.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -124.67 106.55 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 15.6 pttp -136.05 106.41 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 p -139.45 103.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 58.68 47.95 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.559 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.7 m80 -76.96 128.04 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.9 t -56.74 125.87 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.26 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -105.89 -41.18 5.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.563 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 52.2 m80 -117.51 -31.09 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -17.8 54.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.99 142.22 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.555 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.9 mtpm? -62.41 137.39 58.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -89.77 103.38 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 59.9 mt -117.92 -5.0 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.9 mt -106.83 162.49 13.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' PHE . 33.7 t80 -132.8 111.12 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.429 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 15.5 t -71.77 139.04 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.38 -40.01 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.29 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.94 -24.36 12.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.429 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 72.17 29.27 66.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.541 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 148.17 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.4 m -70.44 128.47 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.465 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 35.5 pt -129.62 157.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.5 179.63 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -52.99 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.563 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -47.81 -39.61 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.465 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.8 m -70.66 -56.6 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.11 -25.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -100.0 -16.13 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -59.46 147.94 34.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.95 -21.83 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -73.43 -48.12 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.453 ' HA ' ' ND1' ' A' ' 48' ' ' HIS . 96.0 m-70 -101.01 18.02 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 128.7 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.0 -20.31 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.453 ' ND1' ' HA ' ' A' ' 45' ' ' HIS . 19.3 m170 -62.25 129.07 39.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -82.56 129.8 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 19.3 p -123.06 157.18 33.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 27' ' ' PHE . 48.9 m-85 -129.59 147.29 64.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 80.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.428 HG22 ' N ' ' A' ' 54' ' ' SER . 5.9 t -65.26 -32.97 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.428 ' N ' HG22 ' A' ' 53' ' ' THR . 2.6 m -92.28 -55.7 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.17 136.32 3.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 116.29 4.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 p -89.85 -61.12 1.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -97.66 -56.49 2.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -110.01 144.11 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -133.55 171.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 -146.61 6.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -104.98 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -139.1 138.71 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.49 80.47 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -121.42 130.28 24.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.28 11.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -119.27 104.27 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.74 160.72 8.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -99.5 102.09 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -83.53 111.63 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 23' ' ' LYS . 2.8 p -137.48 102.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 45.15 33.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.611 ' CG ' ' NZ ' ' A' ' 13' ' ' LYS . 5.3 m80 -75.38 128.02 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLY . 49.8 t -56.91 124.62 19.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 2.89 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -112.82 -38.07 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 51.2 m80 -117.94 -26.53 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 88.84 -14.18 60.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.6 139.69 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.567 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 16.0 mtmt -60.11 125.37 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.9 102.37 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.68 -0.39 11.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.0 145.62 39.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -118.65 115.27 24.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.19 136.12 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -91.81 -38.86 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -60.04 -38.96 84.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -105.11 -21.48 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.05 66.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.76 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.57 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 41.9 pt -132.02 153.96 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.8 p -97.95 176.4 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -47.84 -60.43 2.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -45.33 -42.7 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 59.1 m -67.79 -58.28 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -47.83 -42.29 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -77.56 -17.73 57.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -71.4 134.79 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -48.54 -19.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.03 -41.76 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.578 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 83.9 m-70 -117.99 17.94 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptt-85 -70.04 139.05 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.58 -23.72 4.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.0 m170 -62.9 136.62 57.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -81.3 119.38 23.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 48.1 p -119.1 148.97 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 7.2 m-85 -126.88 147.89 63.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.674 0.75 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.02 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.45 HG21 ' N ' ' A' ' 54' ' ' SER . 9.6 t -64.33 -36.59 84.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.45 ' N ' HG21 ' A' ' 53' ' ' THR . 3.3 m -145.4 114.29 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -161.09 148.23 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 m -111.7 138.67 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 m -78.69 -45.71 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.461 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -76.39 140.55 41.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -135.33 160.51 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.48 171.82 16.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -69.48 135.41 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -92.69 121.69 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.26 121.81 2.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 m -139.68 152.49 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.708 0.766 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 2.97 3.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -120.15 103.33 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.01 -155.24 26.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -134.22 111.56 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.554 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 17.3 ptmt -71.76 104.58 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 p -135.48 102.21 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 56.59 47.95 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.554 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.2 m80 -72.02 125.5 27.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.9 t -57.45 118.33 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -2.81 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.508 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 17.4 ttt180 -98.0 -45.29 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.565 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 31.2 m80 -117.86 -28.74 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 102.03 -15.62 56.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.62 142.48 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 8.2 mtpp -66.73 116.28 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 HD22 ' C ' ' A' ' 35' ' ' ILE . 6.6 mt -67.76 104.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -116.96 -4.18 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.617 ' CD2' ' CZ3' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -108.02 126.75 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.04 109.15 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.45 127.84 33.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -84.2 -44.18 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 18.3 mp0 -53.14 -36.98 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -106.94 -31.67 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.76 53.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.471 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 0.3 OUTLIER -124.64 151.5 44.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.944 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' O ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -76.73 111.0 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 36.3 pt -105.74 169.89 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' N ' ' A' ' 39' ' ' CYS . 14.1 p -119.16 160.19 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.617 ' CZ3' ' CD2' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -37.27 -53.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.565 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.1 mm? -51.51 -37.54 49.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.5 m -79.89 -56.91 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -38.45 33.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.422 ' C ' ' HD2' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -77.88 -21.45 51.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.9 t -72.22 146.63 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -53.64 -24.83 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.21 -41.98 98.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.54 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 89.7 m-70 -117.89 12.86 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.47 133.5 54.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.47 81.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.54 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 29.4 m170 -96.85 135.64 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 19.4 m80 -63.82 118.88 8.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.405 ' HB ' ' HB3' ' A' ' 26' ' ' LEU . 9.2 p -125.74 141.43 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -140.83 146.37 43.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.707 0.765 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 HG22 ' N ' ' A' ' 54' ' ' SER . 5.3 t -63.75 -41.49 98.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.464 ' N ' HG22 ' A' ' 53' ' ' THR . 91.9 p -98.02 -45.05 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.8 164.79 29.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.76 12.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 m -106.08 15.53 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -92.9 -48.96 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.533 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -51.45 -50.27 60.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -72.15 166.69 21.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.51 -172.52 40.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -76.37 138.41 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -153.2 133.28 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.16 -60.43 8.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.8 t -123.23 113.98 29.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -125.23 106.4 9.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.93 148.95 35.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -60.3 102.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.53 106.84 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.531 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p -124.05 102.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 76.4 m-20 55.92 47.98 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 13.2 m170 -81.76 130.16 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -58.49 120.45 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.21 -11.43 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -88.87 -55.3 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.572 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 58.9 m80 -97.97 -43.11 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.79 -3.98 32.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.96 152.35 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.45 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 36.5 mtpt -70.88 123.3 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD21 ' N ' ' A' ' 36' ' ' CYS . 22.1 mt -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 30.9 mt -117.68 -7.22 11.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.8 mt -104.34 157.59 17.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -129.27 110.89 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.38 137.0 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.15 -39.98 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.82 -41.51 86.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -101.83 -24.1 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.09 29.28 64.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.53 143.82 48.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.5 m -67.38 134.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.8 pt -130.97 153.6 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' HD21 ' A' ' 24' ' ' LEU . 25.8 p -94.85 178.25 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.11 -45.82 71.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.572 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.3 mm? -58.22 -46.97 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.2 m -63.77 -59.88 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.484 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 6.9 tm-20 -46.2 -47.38 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.433 HH11 ' HD2' ' A' ' 41' ' ' ARG . 1.8 ptt180 -71.2 -22.41 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ARG . 7.9 t -71.54 133.08 45.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -42.69 -30.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -56.33 -44.02 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 79.5 m-70 -117.96 9.29 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 ttt-85 -64.49 138.25 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 -23.35 6.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.504 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 23.1 m170 -63.91 136.51 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -79.01 115.73 18.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 20.4 p -118.04 152.46 35.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -126.8 147.02 59.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.667 0.746 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 79.89 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -63.91 -33.93 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -112.89 -35.87 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.5 -151.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 179.05 4.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.9 m 54.52 41.48 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.2 m -78.06 144.41 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.497 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -72.79 137.82 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -81.41 154.38 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.83 133.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -65.58 150.04 49.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -91.35 17.08 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.89 -128.29 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 p -137.95 137.09 20.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.34 2.24 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.58 157.87 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.42 147.01 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -103.73 151.95 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -55.84 107.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.572 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.4 p -139.79 102.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.44 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 42.6 m-20 52.48 48.04 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 8.6 m170 -83.38 130.73 35.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 30.5 t -59.85 121.97 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.93 -3.98 32.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -97.39 -44.19 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 54.8 m80 -111.55 -37.31 5.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 98.39 8.82 54.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.85 142.07 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.505 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 15.5 mtpp -59.93 120.83 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 ' CG ' ' O ' ' A' ' 15' ' ' ASP . 29.1 mt -77.85 101.96 7.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.7 5.54 12.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.8 mt -115.85 168.6 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -143.85 105.54 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -67.06 136.29 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.25 -34.2 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 7.1 mm-40 -64.43 -36.29 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.99 -22.54 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.77 65.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.16 143.89 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 110.873 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 2.9 m -66.57 131.85 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.44 ' HB ' ' CB ' ' A' ' 39' ' ' CYS . 31.3 pt -130.62 150.5 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -95.88 178.86 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' N ' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -49.25 -60.34 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.1 mm? -46.73 -47.72 20.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.44 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 53.5 m -59.16 -46.0 89.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.47 -38.97 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.24 17.4 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLU . 5.9 t -117.03 126.26 52.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' SER . 41.6 mt-30 -35.25 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' SER . 15.8 tt0 -50.33 -48.28 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.563 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 89.9 m-70 -117.84 -1.75 11.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -53.62 131.02 38.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.97 12.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.562 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.6 m170 -63.8 154.48 33.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.9 m80 -91.54 118.73 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 34.5 p -110.26 147.71 33.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -130.7 143.38 49.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 82.1 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.1 t -64.08 -33.43 75.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 p -110.27 -37.96 5.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 136.89 3.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.4 t -71.99 -51.33 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -147.1 135.81 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.471 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -74.03 -62.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -109.47 150.04 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.33 -120.63 2.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 55.63 42.19 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -162.73 161.31 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.81 -135.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -89.4 152.42 47.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -17.24 37.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.37 125.35 34.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.17 139.71 2.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -54.62 103.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.537 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 11.4 tttp -68.76 109.72 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.444 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -140.22 109.02 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 56.05 46.02 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.572 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.82 129.25 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -58.76 126.58 28.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 -2.39 30.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 51.2 ttt85 -96.75 -44.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.423 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 22.5 m80 -117.96 -37.07 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 112.05 -14.64 26.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.29 142.21 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.572 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 32.1 mtpt -60.54 140.69 57.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.418 HD23 ' C ' ' A' ' 35' ' ' ILE . 8.3 mt -93.94 102.08 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' CD1' ' N ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -110.5 -4.31 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.427 HD12 ' CE3' ' A' ' 37' ' ' TRP . 5.3 mt -108.84 157.82 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -130.76 111.32 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.93 135.32 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -90.82 -38.95 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -38.31 80.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.21 -22.49 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.94 29.58 68.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.57 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -132.04 142.49 49.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -67.74 128.45 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' C ' HD23 ' A' ' 24' ' ' LEU . 26.4 pt -126.32 157.9 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.175 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.0 p -100.57 179.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.436 ' CZ2' HD11 ' A' ' 25' ' ' LEU . 2.0 m95 -52.4 -59.59 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -46.57 -42.08 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.1 m -67.02 -61.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -47.04 -45.29 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -71.52 138.5 48.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 16.5 tm0? -54.74 -13.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.21 -39.0 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 62.1 m-70 -117.93 3.89 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.452 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.55 144.31 51.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -27.96 3.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.584 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.92 133.6 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -73.58 113.36 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 72.9 p -111.95 152.7 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -136.2 147.7 61.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.751 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.401 ' CB ' ' HA ' ' A' ' 56' ' ' PRO . 53.2 Cg_endo -69.77 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -81.16 -33.94 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 t -114.56 -36.07 4.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.26 142.02 11.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.401 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 53.6 Cg_endo -69.75 137.65 35.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.417 ' CB ' HD23 ' A' ' 26' ' ' LEU . 12.5 t -125.28 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.2 p -143.59 158.07 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.464 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -84.6 169.57 14.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -73.54 122.24 21.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.47 -170.79 28.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 m 57.47 41.66 25.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -113.63 119.14 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.46 162.2 25.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.1 m -133.71 153.24 80.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.693 0.759 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.47 34.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.04 129.1 56.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.94 124.36 1.09 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -59.47 107.75 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 13.8 pttp -108.61 106.76 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.31 102.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.5 t0 57.81 47.97 14.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.582 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.59 124.02 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.9 t -56.52 123.9 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.94 -2.27 23.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -98.07 -43.85 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 34.9 m80 -117.97 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 106.95 -13.4 41.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 143.88 57.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.582 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 44.5 mtpt -65.7 122.74 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.421 HD22 ' C ' ' A' ' 35' ' ' ILE . 10.1 mt -73.53 102.02 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -118.0 -1.11 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.578 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.2 mm? -111.8 129.99 55.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -105.18 106.15 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 8.7 t -64.5 138.44 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -90.58 -39.52 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.68 -50.1 74.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -91.66 -25.05 19.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.404 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 74.31 25.09 71.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.419 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -126.86 147.13 50.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.954 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.24 124.44 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.421 ' C ' HD22 ' A' ' 24' ' ' LEU . 41.0 pt -125.5 161.18 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.22 167.8 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.578 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 3.1 m95 -45.14 -54.93 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.476 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.5 mm? -49.75 -41.74 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.82 -47.25 60.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.3 tm-20 -58.32 -40.64 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -76.55 -3.75 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 t -88.28 138.76 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.454 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -49.09 -29.36 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -55.19 -35.1 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 82.0 m-70 -118.01 5.85 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.454 ' CB ' ' HA ' ' A' ' 43' ' ' GLN . 2.6 tpm_? -58.49 125.46 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.82 65.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.7 m170 -100.71 120.88 40.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -63.4 120.72 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 p -111.72 139.77 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.2 m-85 -125.17 141.81 39.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 79.76 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -63.69 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.3 m -84.88 -53.04 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.17 111.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 110.66 2.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -130.5 116.6 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -59.99 174.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.469 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -91.42 -49.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -53.87 127.12 24.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.92 -150.33 20.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.73 110.99 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -53.83 -42.96 69.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 147.41 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.563 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 15.5 t 57.79 46.71 1.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.6 Cg_endo -69.79 -23.6 30.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.9 pp20? 33.6 32.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' PRO . . . -109.34 -141.79 9.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 3.4 pp0? -63.18 110.33 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -137.41 104.99 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.56 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.8 p -124.26 102.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.69 47.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.56 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 10.7 m-70 -87.47 129.08 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 t -55.01 122.93 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -6.89 29.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -98.16 -51.33 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.408 ' NE2' ' HB3' ' A' ' 38' ' ' LEU . 56.7 m80 -98.15 -42.33 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.95 17.06 31.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.31 150.59 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.405 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.524 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 42.0 mtpt -63.01 124.48 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.471 HD21 ' N ' ' A' ' 36' ' ' CYS . 21.0 mt -87.23 103.8 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 mt -118.03 13.02 13.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.18 144.1 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -119.13 109.49 15.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 6.6 t -67.59 142.51 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 pp0? -93.4 -40.55 10.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.466 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 5.3 mm-40 -59.31 -41.62 89.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -99.28 -36.92 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.83 31.91 22.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HE2' ' CG2' ' A' ' 35' ' ' ILE . 3.2 ptmt -129.79 168.58 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.97 115.56 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.476 ' CG2' ' HE2' ' A' ' 33' ' ' LYS . 18.9 pt -109.44 158.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.471 ' N ' HD21 ' A' ' 24' ' ' LEU . 15.2 p -106.79 179.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -52.53 -50.0 63.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' HB3' ' NE2' ' A' ' 20' ' ' HIS . 4.0 mm? -57.55 -47.65 81.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 m -61.78 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.81 -40.75 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -89.82 16.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ARG . 18.9 t -110.54 141.76 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -46.39 -30.68 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.85 -48.86 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.518 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.4 m-70 -117.97 13.58 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 42' ' ' SER . 39.5 ttm-85 -61.34 124.91 21.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.02 14.72 74.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' HIS . . . . . 0.518 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 25.4 m170 -96.66 139.21 33.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -79.55 111.48 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 82.2 p -115.27 153.18 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -135.56 150.73 72.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 98.45 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -83.97 -33.34 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 55' ' ' GLY . 65.6 m -84.37 -43.19 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.76 101.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -12.22 32.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -44.34 -54.91 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -80.57 -53.21 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.469 ' CE1' ' HG3' ' A' ' 23' ' ' LYS . 5.7 m-70 -79.37 124.79 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.9 t -52.64 119.96 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.5 -4.28 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -97.63 -46.41 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -108.75 -36.31 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.25 8.11 50.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.16 145.18 25.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 16' ' ' HIS . 31.9 mtpt -60.66 130.43 46.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -87.63 102.08 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 61.3 mt -117.96 2.91 12.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 mt -112.21 152.94 27.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' PHE . 40.6 t80 -127.32 110.95 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' HA ' HG22 ' A' ' 50' ' ' THR . 45.4 t -74.77 137.95 42.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -87.1 -49.55 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -49.85 -36.92 28.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 33' ' ' LYS . 8.7 m-20 -103.05 -35.95 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.04 26.95 42.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 31' ' ' ASP . 1.1 ptpp? -125.19 177.12 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.6 118.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 50' ' ' THR . 43.5 pt -115.4 167.52 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.85 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -52.18 -61.95 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 mt -49.35 -47.42 47.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.7 m -56.02 -54.38 45.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -51.56 -44.43 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -86.94 17.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -102.36 145.77 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -49.65 -17.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -72.29 -52.29 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.8 m-70 -111.02 17.95 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.1 ttp85 -58.2 129.11 40.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.49 -20.84 9.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.2 m170 -62.88 135.34 57.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -86.59 117.23 25.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.784 HG21 HD11 ' A' ' 35' ' ' ILE . 43.6 p -112.9 157.27 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' PHE . 86.2 m-85 -126.28 146.89 57.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 24' ' ' LEU . 46.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -79.63 129.07 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.6 t -57.47 122.76 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.81 -3.04 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 50.5 ttt85 -97.88 -44.37 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 40.8 m-70 -117.9 -32.92 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 101.48 -11.63 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.92 145.25 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -63.1 126.2 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' ASP . 15.9 mt -84.58 102.01 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 mt -117.99 1.49 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 mt -113.03 158.78 19.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -133.58 114.95 14.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.37 135.39 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -88.31 -40.33 13.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.57 -41.13 84.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.55 -24.13 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.58 28.28 65.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.79 155.69 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.34 136.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG21 ' A' ' 50' ' ' THR . 27.9 pt -133.19 147.94 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 p -94.44 179.0 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -50.66 -54.24 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.2 mm? -52.62 -44.73 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 61.4 m -63.62 -54.72 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.81 -46.08 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -82.58 17.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -106.56 137.18 45.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -47.32 -19.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.23 -45.7 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.517 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 60.0 m80 -117.92 14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.68 120.88 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -25.71 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.9 m170 -62.81 133.52 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -74.73 117.82 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.86 HG21 HD11 ' A' ' 35' ' ' ILE . 38.7 p -114.07 153.47 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 2.2 m-85 -139.91 148.51 55.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.695 0.76 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.222 0 C-N-CA 122.704 2.27 . . . . 0.0 112.34 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -80.11 127.76 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.5 t -56.32 124.45 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -1.54 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -98.74 -44.19 6.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.433 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 38.5 m-70 -117.83 -34.42 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 105.97 -13.33 45.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.52 145.04 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.904 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.81 135.56 57.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 15' ' ' ASP . 8.7 mt -90.18 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 40.3 mt -117.61 -6.35 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.3 156.12 18.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -128.83 114.5 16.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HA ' HG22 ' A' ' 50' ' ' THR . 1.8 t -76.36 135.09 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.8 -39.82 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.62 -41.47 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.72 -21.72 14.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.71 26.08 73.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.05 144.39 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 34' ' ' VAL . 1.2 m -67.27 131.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.865 HD11 HG21 ' A' ' 50' ' ' THR . 37.3 pt -128.33 153.18 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 p -97.64 174.86 6.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -47.68 -56.27 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.8 mm? -49.44 -49.21 46.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.4 -59.35 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CA ' HD12 ' A' ' 35' ' ' ILE . 50.1 tt0 -48.22 -42.39 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 10.7 ptm180 -80.09 -13.83 58.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -76.61 134.4 39.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -45.89 -20.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -45.6 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 78.2 m-70 -115.82 17.78 15.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -71.94 141.19 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -24.19 4.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.7 m170 -63.07 141.06 58.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -81.03 116.73 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.865 HG21 HD11 ' A' ' 35' ' ' ILE . 71.5 p -119.59 151.03 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.3 m-85 -133.93 147.78 65.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.201 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -75.37 130.28 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.8 t -56.37 125.79 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -2.36 25.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 62.3 ttt180 -98.88 -43.83 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 31.2 m80 -117.97 -34.02 4.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 107.5 -16.99 37.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 141.59 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -60.31 137.43 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.9 105.58 17.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.1 mt -116.26 -4.39 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.6 mt -108.04 162.19 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -135.11 107.54 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 2.0 t -69.48 134.56 49.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -91.39 -38.15 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -60.57 -35.97 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.3 -23.29 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 71.3 34.83 63.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -137.31 141.67 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 34' ' ' VAL . 2.0 m -67.07 129.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.562 HG23 ' HD3' ' A' ' 33' ' ' LYS . 50.4 pt -131.4 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -97.97 179.46 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.74 -53.51 54.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.594 HD13 ' HE ' ' A' ' 41' ' ' ARG . 3.1 mm? -52.17 -41.24 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.2 m -67.13 -60.05 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -48.34 -42.55 31.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 38' ' ' LEU . 15.7 ptt85 -75.56 -17.34 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -70.78 138.79 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -49.76 -19.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -70.66 -41.22 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 86.5 m-70 -117.95 17.99 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -65.72 141.64 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.56 19.97 65.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 0.7 OUTLIER -98.16 134.71 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.818 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -66.98 120.49 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -127.13 146.3 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.4 144.76 54.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -77.68 127.52 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.1 t -57.92 127.69 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.78 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -101.12 -41.12 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.432 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 59.1 m-70 -118.05 -35.17 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.82 -13.93 45.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -66.67 145.12 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.832 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mtpp -64.21 137.33 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.76 103.26 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 mt -117.12 -2.29 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' O ' HG12 ' A' ' 34' ' ' VAL . 89.0 mt -108.01 166.33 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -139.3 109.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.77 137.85 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -92.49 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.37 -38.39 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -104.34 -19.19 14.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.61 32.7 84.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.61 139.74 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.3 m -60.73 131.83 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 50' ' ' THR . 49.2 pt -132.14 154.29 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -95.79 178.92 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -53.46 -54.47 36.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.5 mm? -53.22 -37.88 62.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 26.2 m -70.07 -59.65 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.5 tm-20 -51.08 -37.96 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -86.16 -16.94 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.1 m -67.64 149.7 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 24.0 tt0 -59.71 -9.18 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 91.2 m-70 -111.73 17.74 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 22.6 ttt180 -60.99 134.31 56.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.4 17.45 77.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.629 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 0.5 OUTLIER -100.02 137.59 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 19.0 m80 -77.9 122.96 26.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 19.1 p -118.19 140.63 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.95 143.38 36.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' CD2' ' HG2' ' A' ' 23' ' ' LYS . 6.1 m-70 -83.39 124.8 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.0 t -53.44 129.07 31.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 2.83 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 46.1 ttt85 -108.94 -37.8 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 49.4 m80 -117.77 -33.24 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.73 -11.44 61.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -67.61 149.87 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 20.1 mtmm -68.64 136.92 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.667 HD23 ' HB3' ' A' ' 36' ' ' CYS . 13.4 mt -94.69 105.83 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -118.04 -0.8 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.4 mt -111.38 141.0 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -106.45 116.13 31.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.15 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -86.47 -32.01 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.66 -30.26 71.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -116.16 -25.61 7.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.82 26.76 55.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.978 ' HE2' HG22 ' A' ' 35' ' ' ILE . 2.4 ptmt -132.0 151.66 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.66 115.23 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.978 HG22 ' HE2' ' A' ' 33' ' ' LYS . 27.8 pt -105.97 165.82 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.667 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.5 p -107.55 178.69 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -50.18 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.417 HD23 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mm? -47.55 -43.98 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 m -61.59 -59.06 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 2.3 tm-20 -51.41 -42.16 61.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 7.1 ptm180 -83.27 -9.04 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -81.51 147.58 29.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -56.42 -18.19 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.6 -44.57 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.629 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 94.0 m-70 -117.19 17.96 14.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -62.36 140.27 58.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.54 27.08 63.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.629 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 0.4 OUTLIER -99.34 136.29 39.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.26 121.61 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 35' ' ' ILE . 10.4 p -133.66 145.69 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -137.76 148.85 62.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.465 ' NE2' ' CG ' ' A' ' 23' ' ' LYS . 5.6 m-70 -82.06 132.09 35.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.9 t -58.93 128.81 39.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.38 0.32 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -102.64 -41.47 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -117.88 -35.21 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.42 -12.7 51.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.3 142.31 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 110.863 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' NE2' ' A' ' 16' ' ' HIS . 55.0 mtpt -59.9 135.03 57.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 34' ' ' VAL . 9.0 mt -88.39 103.06 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt -117.96 12.57 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.14 143.81 51.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -118.78 108.25 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.7 t -71.41 136.77 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 8.2 mm-40 -88.67 -43.6 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.2 -38.32 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -100.31 -33.35 10.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 28.39 40.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.16 175.14 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.502 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.53 119.39 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.676 HD11 HG21 ' A' ' 50' ' ' THR . 29.6 pt -113.37 166.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.04 174.54 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -44.86 -64.03 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.1 mm? -45.36 -48.29 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.79 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.35 -41.54 80.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -86.3 16.36 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' GLU . 1.7 m -114.7 135.52 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' SER . 33.1 tt0 -54.89 -49.93 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.1 m-70 -118.03 14.73 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -61.78 127.0 29.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.27 18.26 78.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.1 m170 -97.42 138.09 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -70.33 113.3 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 35' ' ' ILE . 66.9 p -117.87 156.64 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 50' ' ' THR . 2.9 m-85 -148.03 144.52 19.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 10.6 m-70 -85.59 134.86 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 18.4 t -58.14 120.93 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -9.37 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 36.1 ttt85 -92.74 -54.62 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.561 ' HB3' HD12 ' A' ' 38' ' ' LEU . 65.2 m-70 -99.41 -40.5 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.89 9.08 46.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 150.17 25.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 34.5 mtpt -62.41 123.64 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -83.11 102.63 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 41.4 mt -116.92 -0.04 12.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' OE1' ' A' ' 40' ' ' GLU . 18.9 mt -111.44 163.57 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -137.63 108.03 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' HG22 ' A' ' 50' ' ' THR . 2.2 t -69.37 129.3 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -85.2 -42.06 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -56.84 -41.18 77.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.79 -21.28 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.81 30.52 70.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.34 148.2 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.3 135.92 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG21 ' A' ' 50' ' ' THR . 29.9 pt -135.6 156.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.56 174.01 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -48.06 -64.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 20' ' ' HIS . 8.2 mt -45.41 -40.36 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.94 -51.71 56.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.676 ' OE1' HD13 ' A' ' 26' ' ' LEU . 33.1 tt0 -55.7 -43.34 76.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 20.2 ptt180 -76.59 -10.78 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 t -77.2 136.15 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -49.75 -18.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.98 -43.39 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.651 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 86.4 m-70 -117.38 17.9 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -67.06 140.94 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.41 -26.11 3.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.651 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 1.4 m-70 -63.06 137.56 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -86.29 128.84 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.645 HG21 HD11 ' A' ' 35' ' ' ILE . 31.0 p -125.34 157.09 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -124.3 146.75 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' NE2' ' CG ' ' A' ' 23' ' ' LYS . 4.8 m-70 -77.67 131.23 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.6 t -59.39 127.16 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.05 1.6 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -105.94 -41.36 5.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 36.3 m80 -118.03 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -16.03 56.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG2' HD23 ' A' ' 38' ' ' LEU . 8.2 mm-40 -61.4 143.69 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' CG ' ' NE2' ' A' ' 16' ' ' HIS . 5.8 mtpm? -64.05 129.98 42.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.0 102.75 12.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD12 ' CH2' ' A' ' 37' ' ' TRP . 16.6 mt -118.02 2.41 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD11 ' CZ3' ' A' ' 37' ' ' TRP . 12.5 mt -117.03 151.6 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.85 112.5 17.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.7 t -74.14 133.65 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -88.43 -39.14 14.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.72 -38.21 81.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -105.53 -20.42 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.44 29.92 73.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -132.75 149.86 52.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.8 130.21 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.551 HG23 ' HD3' ' A' ' 33' ' ' LYS . 44.1 pt -132.57 153.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.72 178.5 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CH2' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -51.16 -54.08 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -51.27 -33.78 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 36.0 m -78.44 -57.44 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -50.77 -37.67 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -80.61 -12.8 59.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -72.03 142.53 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.502 ' CG ' ' NH1' ' A' ' 46' ' ' ARG . 18.0 tm0? -56.39 -12.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -73.39 -40.46 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.642 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 94.7 m-70 -107.79 17.97 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 43' ' ' GLN . 8.2 ttm180 -59.04 130.95 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.44 19.74 79.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.642 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 0.3 OUTLIER -100.36 128.25 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.73 127.86 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -124.92 157.95 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 8.0 m-85 -140.7 147.03 47.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 8.4 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -75.66 128.63 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -60.57 125.29 23.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.91 -1.27 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.5 ttt85 -99.75 -41.1 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.605 ' HB3' HD12 ' A' ' 38' ' ' LEU . 57.1 m-70 -117.91 -36.45 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.44 53.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 146.01 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -61.26 122.2 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 33.5 mt -79.1 102.29 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 mt -117.28 0.17 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.4 mt -112.07 162.55 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -136.2 106.82 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' GLY . 2.3 t -72.23 126.66 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -79.09 -59.41 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.83 -39.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -103.89 -23.55 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' CYS . . . 69.34 30.75 71.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.3 153.01 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.7 m -77.36 133.34 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.5 pt -134.13 156.74 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.2 p -96.47 178.97 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -52.98 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 20' ' ' HIS . 9.7 mt -46.1 -43.65 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 m -59.78 -54.12 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.8 -4.02 25.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -91.12 133.43 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 1.6 tm0? -48.22 -18.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.425 ' CG ' ' N ' ' A' ' 45' ' ' HIS . 2.3 pt-20 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.581 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 32.8 m80 -117.42 17.86 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' CG ' ' HA ' ' A' ' 43' ' ' GLN . 16.1 ptt85 -70.68 142.52 51.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.54 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.34 137.76 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -77.13 122.51 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.6 p -115.76 158.59 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.97 145.88 49.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.4 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 4.6 m-70 -80.21 126.1 30.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' GLY . 15.1 t -59.09 118.42 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -2.54 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.0 ttt180 -97.97 -48.02 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.9 m80 -113.6 -32.23 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 103.61 -14.03 53.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 144.92 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.4 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 33.0 mtpt -68.68 120.92 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.2 mt -71.99 102.04 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 mt -117.91 -5.63 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.166 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.5 mm? -105.35 124.19 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -94.52 114.42 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 3.1 t -75.56 138.43 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -91.4 -40.88 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' OE1' ' CE1' ' A' ' 48' ' ' HIS . 2.7 tt0 -58.33 -41.77 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.16 -35.36 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 88.4 21.26 45.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HE2' HG22 ' A' ' 35' ' ' ILE . 6.4 ptmt -122.91 153.2 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.41 107.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.963 HG22 ' HE2' ' A' ' 33' ' ' LYS . 21.9 pt -101.12 166.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD23 ' A' ' 24' ' ' LEU . 11.6 p -112.1 162.2 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 1.166 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 4.8 m95 -37.1 -64.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -45.08 -36.41 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' CYS . 65.9 m -75.49 -54.92 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.79 -38.24 60.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -82.69 -13.93 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 t -71.35 147.68 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 4.8 tt0 -61.11 -8.45 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -79.2 -40.74 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.659 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 92.8 m-70 -108.5 17.98 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 30.3 ttt-85 -60.78 137.94 58.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 -23.89 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.659 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 0.5 OUTLIER -64.36 125.77 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.828 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.7 123.75 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 35' ' ' ILE . 21.6 p -110.65 149.91 29.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.9 m-85 -132.69 144.6 53.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.648 0.737 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.598 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 31.0 m80 -82.68 126.36 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -51.96 134.01 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.7 1.44 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -108.84 -34.47 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 62.4 m80 -117.74 -34.72 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.17 14.32 51.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -93.15 145.99 24.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.598 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 34.9 mtpt -65.13 120.15 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.3 mt -76.75 102.32 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -118.04 -2.37 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 36.6 mt -108.79 139.03 44.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -110.6 114.18 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.48 134.61 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -88.9 -30.54 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.52 -39.34 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.62 -35.97 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.97 36.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.871 ' HE3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -122.91 160.95 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.651 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -83.5 109.44 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.871 HG22 ' HE3' ' A' ' 33' ' ' LYS . 10.1 pt -103.3 166.03 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.1 p -112.1 174.45 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -44.37 -62.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.4 mm? -46.75 -48.24 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.0 m -59.85 -46.75 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.5 -41.56 85.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -93.17 17.98 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ARG . 1.7 m -108.34 142.64 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 52.9 tt0 -48.8 -24.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.76 -49.0 78.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.636 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 95.0 m-70 -117.39 18.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -60.05 138.83 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.2 19.05 69.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.636 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 0.5 OUTLIER -98.17 144.34 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.497 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 5.5 m80 -81.84 121.31 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 35' ' ' ILE . 28.8 p -117.49 148.54 41.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -130.39 142.09 44.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.721 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -76.96 128.04 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.9 t -56.74 125.87 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.26 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -105.89 -41.18 5.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 77.1 m-70 -117.51 -31.09 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 101.56 -17.8 54.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.99 142.22 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -62.41 137.39 58.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -89.77 103.38 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 59.9 mt -117.92 -5.0 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.9 mt -106.83 162.49 13.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' PHE . 33.7 t80 -132.8 111.12 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.422 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 15.5 t -71.77 139.04 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -92.38 -40.01 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.29 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.94 -24.36 12.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 72.17 29.27 66.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.541 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 148.17 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.4 m -70.44 128.47 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 50' ' ' THR . 35.5 pt -129.62 157.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.5 179.63 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -52.99 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.479 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.9 mm? -47.81 -39.61 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.8 m -70.66 -56.6 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.11 -25.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -100.0 -16.13 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -59.46 147.94 34.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.95 -21.83 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -73.43 -48.12 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.465 ' HA ' ' ND1' ' A' ' 48' ' ' HIS . 96.0 m-70 -101.01 18.02 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 128.7 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.0 -20.31 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 45' ' ' HIS . 19.3 m170 -62.25 129.07 39.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -82.56 129.8 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 35' ' ' ILE . 19.3 p -123.06 157.18 33.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 27' ' ' PHE . 48.9 m-85 -129.59 147.29 64.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.478 ' CD2' ' HG2' ' A' ' 23' ' ' LYS . 4.8 m-70 -75.38 128.02 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLY . 49.8 t -56.91 124.62 19.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 2.89 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -112.82 -38.07 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 51.2 m80 -117.94 -26.53 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 88.84 -14.18 60.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.6 139.69 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 16.0 mtmt -60.11 125.37 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.9 102.37 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.68 -0.39 11.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.0 145.62 39.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -118.65 115.27 24.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.19 136.12 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -91.81 -38.86 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -60.04 -38.96 84.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -105.11 -21.48 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.05 66.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -133.76 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.57 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 50' ' ' THR . 41.9 pt -132.02 153.96 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.8 p -97.95 176.4 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -47.84 -60.43 2.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -45.33 -42.7 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.461 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 59.1 m -67.79 -58.28 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -47.83 -42.29 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -77.56 -17.73 57.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -71.4 134.79 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -48.54 -19.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.03 -41.76 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.544 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 37.2 m80 -117.99 17.94 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptt-85 -70.04 139.05 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.58 -23.72 4.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.0 m170 -62.9 136.62 57.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -81.3 119.38 23.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.624 HG21 HD11 ' A' ' 35' ' ' ILE . 48.1 p -119.1 148.97 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 7.2 m-85 -126.88 147.89 63.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.674 0.75 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -72.02 125.5 27.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.9 t -57.45 118.33 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -2.81 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 17.4 ttt180 -98.0 -45.29 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.643 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 55.1 m-70 -117.86 -28.74 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 102.03 -15.62 56.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.62 142.48 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -66.73 116.28 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 34' ' ' VAL . 6.6 mt -67.76 104.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -116.96 -4.18 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.169 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -108.02 126.75 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.04 109.15 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.45 127.84 33.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -84.2 -44.18 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 18.3 mp0 -53.14 -36.98 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -106.94 -31.67 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.76 53.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.924 ' HE2' HG22 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -124.64 151.5 44.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.944 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.684 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.73 111.0 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.924 HG22 ' HE2' ' A' ' 33' ' ' LYS . 36.3 pt -105.74 169.89 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.493 ' HB3' HD23 ' A' ' 24' ' ' LEU . 14.1 p -119.16 160.19 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 1.169 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -37.27 -53.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.643 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.1 mm? -51.51 -37.54 49.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.5 m -79.89 -56.91 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -38.45 33.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -77.88 -21.45 51.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 1.9 t -72.22 146.63 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -53.64 -24.83 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.21 -41.98 98.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 89.7 m-70 -117.89 12.86 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.47 133.5 54.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.47 81.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 29.4 m170 -96.85 135.64 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 19.4 m80 -63.82 118.88 8.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.677 HG21 HD11 ' A' ' 35' ' ' ILE . 9.2 p -125.74 141.43 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -140.83 146.37 43.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.707 0.765 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 76.4 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 13.2 m170 -81.76 130.16 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -58.49 120.45 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.21 -11.43 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -88.87 -55.3 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 83.8 m-70 -97.97 -43.11 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.79 -3.98 32.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.726 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.96 152.35 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 36.5 mtpt -70.88 123.3 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 36' ' ' CYS . 22.1 mt -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD12 ' HH2' ' A' ' 37' ' ' TRP . 30.9 mt -117.68 -7.22 11.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -104.34 157.59 17.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -129.27 110.89 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.38 137.0 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.15 -39.98 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.82 -41.51 86.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -101.83 -24.1 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.09 29.28 64.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.53 143.82 48.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.5 m -67.38 134.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.716 HD11 HG21 ' A' ' 50' ' ' THR . 37.8 pt -130.97 153.6 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 24' ' ' LEU . 25.8 p -94.85 178.25 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.484 ' HH2' HD12 ' A' ' 25' ' ' LEU . 1.7 m95 -54.11 -45.82 71.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.3 mm? -58.22 -46.97 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.2 m -63.77 -59.88 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' CA ' HD12 ' A' ' 35' ' ' ILE . 6.9 tm-20 -46.2 -47.38 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 41' ' ' ARG . 1.8 ptt180 -71.2 -22.41 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ARG . 7.9 t -71.54 133.08 45.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -42.69 -30.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -56.33 -44.02 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 79.5 m-70 -117.96 9.29 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 ttt-85 -64.49 138.25 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 -23.35 6.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 23.1 m170 -63.91 136.51 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -79.01 115.73 18.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.716 HG21 HD11 ' A' ' 35' ' ' ILE . 20.4 p -118.04 152.46 35.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -126.8 147.02 59.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.667 0.746 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 24' ' ' LEU . 42.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.84 0.352 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 8.6 m170 -83.38 130.73 35.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 30.5 t -59.85 121.97 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.93 -3.98 32.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -97.39 -44.19 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 54.8 m80 -111.55 -37.31 5.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 98.39 8.82 54.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.85 142.07 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 15.5 mtpp -59.93 120.83 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 15' ' ' ASP . 29.1 mt -77.85 101.96 7.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.7 5.54 12.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -115.85 168.6 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -143.85 105.54 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -67.06 136.29 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.25 -34.2 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 7.1 mm-40 -64.43 -36.29 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.99 -22.54 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.77 65.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.16 143.89 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 110.873 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' LEU . 2.9 m -66.57 131.85 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 50' ' ' THR . 31.3 pt -130.62 150.5 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -95.88 178.86 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' N ' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -49.25 -60.34 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.1 mm? -46.73 -47.72 20.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 53.5 m -59.16 -46.0 89.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.47 -38.97 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.24 17.4 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLU . 5.9 t -117.03 126.26 52.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' SER . 41.6 mt-30 -35.25 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' SER . 15.8 tt0 -50.33 -48.28 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 89.9 m-70 -117.84 -1.75 11.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -53.62 131.02 38.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.97 12.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.6 m170 -63.8 154.48 33.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 39.9 m80 -91.54 118.73 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 p -110.26 147.71 33.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -130.7 143.38 49.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 -74.82 129.25 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -58.76 126.58 28.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 -2.39 30.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.2 ttt85 -96.75 -44.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 -117.96 -37.07 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.05 -14.64 26.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.29 142.21 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 25' ' ' LEU . 32.1 mtpt -60.54 140.69 57.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 25' ' ' LEU . 8.3 mt -93.94 102.08 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.791 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -110.5 -4.31 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD11 ' CE3' ' A' ' 37' ' ' TRP . 5.3 mt -108.84 157.82 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -130.76 111.32 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.93 135.32 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -90.82 -38.95 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -38.31 80.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.21 -22.49 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.94 29.58 68.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.04 142.49 49.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -67.74 128.45 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 50' ' ' THR . 26.4 pt -126.32 157.9 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.175 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.0 p -100.57 179.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.684 ' CZ2' HD13 ' A' ' 25' ' ' LEU . 2.0 m95 -52.4 -59.59 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.7 mm? -46.57 -42.08 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.1 m -67.02 -61.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 35' ' ' ILE . 10.0 tp10 -47.04 -45.29 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -71.52 138.5 48.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 16.5 tm0? -54.74 -13.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.21 -39.0 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 24.6 m80 -117.93 3.89 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.55 144.31 51.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -27.96 3.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.92 133.6 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -73.58 113.36 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.646 HG21 HD11 ' A' ' 35' ' ' ILE . 72.9 p -111.95 152.7 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -136.2 147.7 61.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.751 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.409 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 5.0 m-70 -74.59 124.02 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.9 t -56.52 123.9 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.94 -2.27 23.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 40.9 ttt180 -98.07 -43.85 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.631 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 50.3 m-70 -117.97 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 106.95 -13.4 41.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 143.88 57.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 44.5 mtpt -65.7 122.74 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD12 ' CG ' ' A' ' 15' ' ' ASP . 10.1 mt -73.53 102.02 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -118.0 -1.11 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.2 mm? -111.8 129.99 55.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -105.18 106.15 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.5 138.44 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -90.58 -39.52 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.68 -50.1 74.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -91.66 -25.05 19.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.31 25.09 71.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -126.86 147.13 50.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.954 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -72.24 124.44 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' HD3' ' A' ' 33' ' ' LYS . 41.0 pt -125.5 161.18 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.22 167.8 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 3.1 m95 -45.14 -54.93 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.631 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.5 mm? -49.75 -41.74 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.82 -47.25 60.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.3 tm-20 -58.32 -40.64 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 41' ' ' ARG . 30.0 mtt180 -76.55 -3.75 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 t -88.28 138.76 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 1.2 mp0 -49.09 -29.36 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -55.19 -35.1 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.644 ' HA ' ' CD2' ' A' ' 48' ' ' HIS . 82.0 m-70 -118.01 5.85 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 43' ' ' GLN . 2.6 tpm_? -58.49 125.46 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.82 65.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.644 ' CD2' ' HA ' ' A' ' 45' ' ' HIS . 1.5 m-70 -100.71 120.88 40.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -63.4 120.72 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 p -111.72 139.77 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 3.2 m-85 -125.17 141.81 39.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 10.7 m-70 -87.47 129.08 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 t -55.01 122.93 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -6.89 29.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -98.16 -51.33 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 38' ' ' LEU . 56.7 m80 -98.15 -42.33 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.95 17.06 31.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.31 150.59 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.405 . . . . 0.0 110.883 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 42.0 mtpt -63.01 124.48 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 36' ' ' CYS . 21.0 mt -87.23 103.8 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 mt -118.03 13.02 13.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.18 144.1 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -119.13 109.49 15.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HA ' HG22 ' A' ' 50' ' ' THR . 6.6 t -67.59 142.51 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 pp0? -93.4 -40.55 10.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 5.3 mm-40 -59.31 -41.62 89.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -99.28 -36.92 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.83 31.91 22.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.993 ' HE2' HG22 ' A' ' 35' ' ' ILE . 3.2 ptmt -129.79 168.58 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.97 115.56 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.993 HG22 ' HE2' ' A' ' 33' ' ' LYS . 18.9 pt -109.44 158.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.653 ' HB3' HD23 ' A' ' 24' ' ' LEU . 15.2 p -106.79 179.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -52.53 -50.0 63.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.0 mm? -57.55 -47.65 81.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 m -61.78 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.81 -40.75 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -89.82 16.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ARG . 18.9 t -110.54 141.76 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 96.0 mt-30 -46.39 -30.68 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.85 -48.86 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.4 m-70 -117.97 13.58 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 42' ' ' SER . 39.5 ttm-85 -61.34 124.91 21.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.02 14.72 74.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 25.4 m170 -96.66 139.21 33.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -79.55 111.48 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.854 HG21 HD11 ' A' ' 35' ' ' ILE . 82.2 p -115.27 153.18 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -135.56 150.73 72.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -147.03 129.54 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.06 164.17 10.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -93.28 -43.69 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -121.05 111.31 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.07 59.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -140.8 135.32 15.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.28 36.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -86.79 14.19 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.61 143.62 22.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.08 102.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.343 . . . . 0.0 110.943 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -70.34 102.19 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.3 p -130.38 108.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 53.17 47.87 23.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.512 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 5.7 m-70 -79.37 124.79 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.9 t -52.64 119.96 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.5 -4.28 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -97.63 -46.41 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.524 ' CD2' HD12 ' A' ' 38' ' ' LEU . 68.9 m80 -108.75 -36.31 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.25 8.11 50.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.16 145.18 25.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.469 ' HG3' ' CE1' ' A' ' 16' ' ' HIS . 31.9 mtpt -60.66 130.43 46.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -87.63 102.08 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 61.3 mt -117.96 2.91 12.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 mt -112.21 152.94 27.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' PHE . 40.6 t80 -127.32 110.95 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' HA ' HG22 ' A' ' 50' ' ' THR . 45.4 t -74.77 137.95 42.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -87.1 -49.55 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -49.85 -36.92 28.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 33' ' ' LYS . 8.7 m-20 -103.05 -35.95 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.04 26.95 42.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 31' ' ' ASP . 1.1 ptpp? -125.19 177.12 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.6 118.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 50' ' ' THR . 43.5 pt -115.4 167.52 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.85 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -52.18 -61.95 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 20' ' ' HIS . 9.1 mt -49.35 -47.42 47.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.7 m -56.02 -54.38 45.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -51.56 -44.43 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -86.94 17.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -102.36 145.77 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -49.65 -17.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -72.29 -52.29 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.8 m-70 -111.02 17.95 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.1 ttp85 -58.2 129.11 40.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.49 -20.84 9.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.2 m170 -62.88 135.34 57.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -86.59 117.23 25.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.784 HG21 HD11 ' A' ' 35' ' ' ILE . 43.6 p -112.9 157.27 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' PHE . 86.2 m-85 -126.28 146.89 57.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.73 112.45 3.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -72.22 -45.2 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t 59.25 43.9 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 66.31 -147.96 50.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.9 Cg_endo -69.78 80.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -157.95 138.09 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.3 t -79.03 -57.33 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.459 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.9 p -36.88 -60.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m -121.15 139.35 53.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 -70.3 0.52 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m 60.95 43.65 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.2 156.84 24.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.74 107.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 m -95.55 139.87 22.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 52.0 40.53 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.12 125.65 18.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.18 107.89 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -68.64 106.59 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.585 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.5 p -139.62 105.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 24' ' ' LEU . 46.8 m-20 53.58 47.86 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.585 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 5.9 m-70 -79.63 129.07 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.6 t -57.47 122.76 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.81 -3.04 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 50.5 ttt85 -97.88 -44.37 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 23.2 m80 -117.9 -32.92 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 101.48 -11.63 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.92 145.25 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 38.5 mttt -63.1 126.2 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' ASP . 15.9 mt -84.58 102.01 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 mt -117.99 1.49 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 mt -113.03 158.78 19.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -133.58 114.95 14.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.37 135.39 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -88.31 -40.33 13.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.57 -41.13 84.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.55 -24.13 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.58 28.28 65.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.79 155.69 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.34 136.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG21 ' A' ' 50' ' ' THR . 27.9 pt -133.19 147.94 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 p -94.44 179.0 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -50.66 -54.24 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.2 mm? -52.62 -44.73 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 61.4 m -63.62 -54.72 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.81 -46.08 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -82.58 17.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -106.56 137.18 45.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -47.32 -19.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.23 -45.7 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 98.2 m-70 -117.92 14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.68 120.88 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -25.71 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.9 m170 -62.81 133.52 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -74.73 117.82 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.86 HG21 HD11 ' A' ' 35' ' ' ILE . 38.7 p -114.07 153.47 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 2.2 m-85 -139.91 148.51 55.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.695 0.76 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 86.52 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.704 2.27 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -64.64 -37.45 87.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -86.73 -49.23 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.55 -172.14 0.36 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.13 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 m -93.32 -52.63 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -76.45 150.34 36.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -78.43 -58.54 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -146.98 144.8 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.2 177.51 17.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -82.06 150.73 27.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -81.06 -43.3 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.29 153.22 11.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.0 p -107.08 125.59 32.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -14.86 36.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.407 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 16.39 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -126.99 109.86 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.81 110.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.943 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -99.95 107.5 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.568 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.2 p -142.36 102.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 56.85 47.91 17.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.568 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 6.9 m170 -80.11 127.76 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.5 t -56.32 124.45 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -1.54 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.1 ttt180 -98.74 -44.19 6.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 24.4 m80 -117.83 -34.42 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 105.97 -13.33 45.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.52 145.04 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.904 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.4 mtpm? -61.81 135.56 57.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 15' ' ' ASP . 8.7 mt -90.18 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 40.3 mt -117.61 -6.35 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.3 156.12 18.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -128.83 114.5 16.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HA ' HG22 ' A' ' 50' ' ' THR . 1.8 t -76.36 135.09 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.8 -39.82 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.62 -41.47 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.72 -21.72 14.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.71 26.08 73.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.05 144.39 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 34' ' ' VAL . 1.2 m -67.27 131.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.865 HD11 HG21 ' A' ' 50' ' ' THR . 37.3 pt -128.33 153.18 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 p -97.64 174.86 6.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -47.68 -56.27 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.8 mm? -49.44 -49.21 46.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.4 -59.35 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CA ' HD12 ' A' ' 35' ' ' ILE . 50.1 tt0 -48.22 -42.39 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 10.7 ptm180 -80.09 -13.83 58.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -76.61 134.4 39.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -45.89 -20.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -45.6 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 78.2 m-70 -115.82 17.78 15.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -71.94 141.19 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -24.19 4.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.7 m170 -63.07 141.06 58.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -81.03 116.73 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.865 HG21 HD11 ' A' ' 35' ' ' ILE . 71.5 p -119.59 151.03 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.3 m-85 -133.93 147.78 65.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.68 79.82 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.0 t -61.7 -40.19 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 m -129.76 176.29 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.79 95.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.82 3.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 p -97.25 157.13 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.4 p -137.81 176.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -87.8 -48.49 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -145.97 143.73 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 172.08 14.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -63.17 -57.52 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 p -116.51 158.18 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.37 -119.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.564 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 24.9 t 64.75 46.96 0.61 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.9 Cg_endo -69.73 -9.07 25.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 1.8 tm-20 -92.17 17.59 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.64 137.81 2.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 14' ' ' VAL . 26.0 mt-30 -105.48 128.54 53.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ptpt -54.52 104.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 12' ' ' GLN . 2.3 p -138.05 102.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.64 47.83 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 5.0 m-70 -75.37 130.28 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.8 t -56.37 125.79 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -2.36 25.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 62.3 ttt180 -98.88 -43.83 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 31.2 m80 -117.97 -34.02 4.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 107.5 -16.99 37.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 141.59 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -60.31 137.43 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.9 105.58 17.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.1 mt -116.26 -4.39 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.6 mt -108.04 162.19 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -135.11 107.54 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 2.0 t -69.48 134.56 49.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -91.39 -38.15 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -60.57 -35.97 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.3 -23.29 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 71.3 34.83 63.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -137.31 141.67 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 34' ' ' VAL . 2.0 m -67.07 129.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.562 HG23 ' HD3' ' A' ' 33' ' ' LYS . 50.4 pt -131.4 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -97.97 179.46 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.74 -53.51 54.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.594 HD13 ' HE ' ' A' ' 41' ' ' ARG . 3.1 mm? -52.17 -41.24 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.2 m -67.13 -60.05 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -48.34 -42.55 31.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 38' ' ' LEU . 15.7 ptt85 -75.56 -17.34 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -70.78 138.79 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -49.76 -19.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -70.66 -41.22 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 86.5 m-70 -117.95 17.99 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -65.72 141.64 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.56 19.97 65.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.2 m170 -98.16 134.71 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -66.98 120.49 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -127.13 146.3 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.4 144.76 54.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -61.68 -36.77 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -92.68 -41.09 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.05 137.67 45.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -107.97 145.3 34.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 p -98.61 177.41 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m -121.39 139.2 53.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.376 . . . . 0.0 110.898 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -143.13 137.5 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.05 61.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -106.33 148.32 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -73.4 -47.75 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.31 167.49 37.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -61.57 152.8 73.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.7 0.762 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.87 175.52 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.73 -40.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HG3' ' NZ ' ' A' ' 23' ' ' LYS . 23.4 pt20 -80.76 115.43 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.93 103.44 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.511 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.7 p -132.78 105.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 54.63 47.53 22.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.511 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 4.9 m-70 -77.68 127.52 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.1 t -57.92 127.69 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.78 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -101.12 -41.12 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 39.1 m80 -118.05 -35.17 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 105.82 -13.93 45.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -66.67 145.12 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.832 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.426 ' NZ ' ' HG3' ' A' ' 12' ' ' GLN . 12.2 mtpp -64.21 137.33 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.76 103.26 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 mt -117.12 -2.29 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' O ' HG12 ' A' ' 34' ' ' VAL . 89.0 mt -108.01 166.33 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -139.3 109.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.77 137.85 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -92.49 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.37 -38.39 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -104.34 -19.19 14.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.61 32.7 84.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.61 139.74 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.3 m -60.73 131.83 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 50' ' ' THR . 49.2 pt -132.14 154.29 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -95.79 178.92 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -53.46 -54.47 36.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.5 mm? -53.22 -37.88 62.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 26.2 m -70.07 -59.65 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.5 tm-20 -51.08 -37.96 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -86.16 -16.94 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.1 m -67.64 149.7 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 24.0 tt0 -59.71 -9.18 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 91.2 m-70 -111.73 17.74 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 22.6 ttt180 -60.99 134.31 56.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.4 17.45 77.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.4 m170 -100.02 137.59 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 19.0 m80 -77.9 122.96 26.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 19.1 p -118.19 140.63 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.95 143.38 36.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -66.36 -37.11 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.0 t -147.49 108.3 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.88 94.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 96.93 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -115.89 118.15 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -80.06 10.27 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.468 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -122.45 152.73 39.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -52.04 105.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.67 134.85 29.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -109.63 114.57 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -50.98 -51.11 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.42 -39.52 3.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 m -91.61 157.04 42.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.648 0.737 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.17 32.37 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -121.64 154.41 36.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.15 137.0 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' HG12 ' A' ' 14' ' ' VAL . 88.4 mm-40 -92.89 112.81 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 105.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG13 ' CD ' ' A' ' 23' ' ' LYS . 2.5 p -144.64 102.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 52.01 46.39 26.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.606 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 2.6 m80 -83.39 124.8 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.0 t -53.44 129.07 31.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 2.83 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 46.1 ttt85 -108.94 -37.8 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 49.4 m80 -117.77 -33.24 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.73 -11.44 61.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -67.61 149.87 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 20.1 mtmm -68.64 136.92 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.667 HD23 ' HB3' ' A' ' 36' ' ' CYS . 13.4 mt -94.69 105.83 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -118.04 -0.8 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.4 mt -111.38 141.0 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -106.45 116.13 31.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.15 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -86.47 -32.01 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.66 -30.26 71.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -116.16 -25.61 7.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.82 26.76 55.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.978 ' HE2' HG22 ' A' ' 35' ' ' ILE . 2.4 ptmt -132.0 151.66 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.66 115.23 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.978 HG22 ' HE2' ' A' ' 33' ' ' LYS . 27.8 pt -105.97 165.82 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.667 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.5 p -107.55 178.69 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -50.18 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.417 HD23 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mm? -47.55 -43.98 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 m -61.59 -59.06 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 2.3 tm-20 -51.41 -42.16 61.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 7.1 ptm180 -83.27 -9.04 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -81.51 147.58 29.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -56.42 -18.19 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.6 -44.57 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.0 m-70 -117.19 17.96 14.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -62.36 140.27 58.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.54 27.08 63.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 22.1 m170 -99.34 136.29 39.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.26 121.61 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 35' ' ' ILE . 10.4 p -133.66 145.69 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -137.76 148.85 62.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 80.64 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 t -73.39 -34.02 65.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 t -92.94 -44.73 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -38.46 109.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.51 34.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.2 p -86.26 -45.73 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -39.18 -49.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.505 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -138.33 154.39 48.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -81.67 117.07 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.56 -71.99 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.424 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -143.16 134.73 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -125.48 126.02 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.14 33.37 1.92 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.681 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -65.76 -49.47 59.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.706 0.765 . . . . 0.0 110.908 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 8' ' ' SER . 53.3 Cg_endo -69.77 -22.54 31.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.87 158.29 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.97 -82.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.4 mt-30 -126.15 124.05 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -52.77 106.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.589 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.3 p -139.23 104.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER 53.02 47.81 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.589 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 5.6 m-70 -82.06 132.09 35.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.9 t -58.93 128.81 39.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.38 0.32 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -102.64 -41.47 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -117.88 -35.21 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 104.42 -12.7 51.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.3 142.31 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 110.863 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.465 ' CG ' ' NE2' ' A' ' 16' ' ' HIS . 55.0 mtpt -59.9 135.03 57.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 34' ' ' VAL . 9.0 mt -88.39 103.06 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt -117.96 12.57 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.14 143.81 51.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -118.78 108.25 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.7 t -71.41 136.77 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 8.2 mm-40 -88.67 -43.6 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.2 -38.32 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -100.31 -33.35 10.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 28.39 40.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.16 175.14 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.502 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.53 119.39 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.676 HD11 HG21 ' A' ' 50' ' ' THR . 29.6 pt -113.37 166.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.04 174.54 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -44.86 -64.03 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.1 mm? -45.36 -48.29 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.79 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.35 -41.54 80.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -86.3 16.36 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' GLU . 1.7 m -114.7 135.52 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' SER . 33.1 tt0 -54.89 -49.93 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.1 m-70 -118.03 14.73 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -61.78 127.0 29.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.27 18.26 78.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.1 m170 -97.42 138.09 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -70.33 113.3 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 35' ' ' ILE . 66.9 p -117.87 156.64 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 50' ' ' THR . 2.9 m-85 -148.03 144.52 19.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.17 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.3 t -72.22 -31.69 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' GLY . 43.5 p -117.93 -37.65 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.33 145.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.37 57.18 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 p -81.87 -50.59 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.0 p -98.06 115.14 27.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.534 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -95.11 145.92 24.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t 66.88 42.26 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.79 -138.59 0.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -167.66 156.15 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -141.84 125.31 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.9 40.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.551 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 11.5 m 62.14 47.96 1.13 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.812 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.8 Cg_endo -69.74 3.09 2.96 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.671 2.248 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -112.95 123.42 50.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.68 -140.88 3.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -113.62 114.83 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -62.02 102.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.578 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p -121.58 102.03 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 54.49 47.98 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 10.6 m-70 -85.59 134.86 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 18.4 t -58.14 120.93 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -9.37 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 36.1 ttt85 -92.74 -54.62 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.561 ' HB3' HD12 ' A' ' 38' ' ' LEU . 49.6 m80 -99.41 -40.5 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.89 9.08 46.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 150.17 25.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 34.5 mtpt -62.41 123.64 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -83.11 102.63 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 41.4 mt -116.92 -0.04 12.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' OE1' ' A' ' 40' ' ' GLU . 18.9 mt -111.44 163.57 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HB2' HG22 ' A' ' 53' ' ' THR . 33.2 t80 -137.63 108.03 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' HG22 ' A' ' 50' ' ' THR . 2.2 t -69.37 129.3 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -85.2 -42.06 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -56.84 -41.18 77.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.79 -21.28 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.81 30.52 70.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.34 148.2 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.3 135.92 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG21 ' A' ' 50' ' ' THR . 29.9 pt -135.6 156.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.56 174.01 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -48.06 -64.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 20' ' ' HIS . 8.2 mt -45.41 -40.36 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.94 -51.71 56.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.676 ' OE1' HD13 ' A' ' 26' ' ' LEU . 33.1 tt0 -55.7 -43.34 76.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 20.2 ptt180 -76.59 -10.78 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 t -77.2 136.15 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -49.75 -18.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.98 -43.39 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 86.4 m-70 -117.38 17.9 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -67.06 140.94 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.41 -26.11 3.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.9 m170 -63.06 137.56 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -86.29 128.84 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.645 HG21 HD11 ' A' ' 35' ' ' ILE . 31.0 p -125.34 157.09 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -124.3 146.75 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.74 91.06 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 27' ' ' PHE . 1.7 p -41.37 -56.84 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLY . 1.4 t -116.92 -16.6 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.57 153.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 11.76 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 55' ' ' GLY . 20.0 m 66.54 42.9 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m 60.48 39.47 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.457 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -96.14 160.44 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -54.46 141.6 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.16 179.28 20.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -121.7 166.79 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -106.03 112.88 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.6 93.11 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 19.7 m -95.37 106.67 27.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.689 0.756 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.74 -23.42 30.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLY . 31.9 mt-10 -78.3 118.48 20.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . -37.32 139.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 14' ' ' VAL . 14.3 mm100 -123.31 144.12 49.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -57.37 106.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.599 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.2 p -140.53 102.33 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 54.03 43.01 31.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.599 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 4.8 m-70 -77.67 131.23 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.6 t -59.39 127.16 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.05 1.6 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -105.94 -41.36 5.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 36.3 m80 -118.03 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.56 -16.03 56.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.433 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG2' HD23 ' A' ' 38' ' ' LEU . 8.2 mm-40 -61.4 143.69 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' CG ' ' NE2' ' A' ' 16' ' ' HIS . 5.8 mtpm? -64.05 129.98 42.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.0 102.75 12.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD12 ' CH2' ' A' ' 37' ' ' TRP . 16.6 mt -118.02 2.41 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD11 ' CZ3' ' A' ' 37' ' ' TRP . 12.5 mt -117.03 151.6 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.85 112.5 17.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.7 t -74.14 133.65 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -88.43 -39.14 14.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.72 -38.21 81.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -105.53 -20.42 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.44 29.92 73.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -132.75 149.86 52.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.8 130.21 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.551 HG23 ' HD3' ' A' ' 33' ' ' LYS . 44.1 pt -132.57 153.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.72 178.5 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CH2' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -51.16 -54.08 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -51.27 -33.78 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 36.0 m -78.44 -57.44 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -50.77 -37.67 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HD3' ' C ' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -80.61 -12.8 59.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -72.03 142.53 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.502 ' CG ' ' NH1' ' A' ' 46' ' ' ARG . 18.0 tm0? -56.39 -12.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -73.39 -40.46 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.7 m-70 -107.79 17.97 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 43' ' ' GLN . 8.2 ttm180 -59.04 130.95 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.44 19.74 79.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.3 m170 -100.36 128.25 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.73 127.86 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -124.92 157.95 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 8.0 m-85 -140.7 147.03 47.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 t -63.16 -40.56 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' GLY . 98.0 p -96.61 -43.11 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.04 126.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.54 45.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -95.62 -43.2 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 t -125.34 111.39 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.514 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -119.09 128.48 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -102.77 154.12 19.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.92 -72.86 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -132.52 128.17 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -39.85 -44.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.15 -107.86 2.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -156.53 136.67 8.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.398 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 51.97 41.93 29.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.63 -88.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.1 104.96 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.3 pttp -133.7 108.12 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.566 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.3 p -142.34 103.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 8.4 t0 56.89 47.86 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.566 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 6.2 m-70 -75.66 128.63 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -60.57 125.29 23.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.91 -1.27 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 14.5 ttt85 -99.75 -41.1 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.605 ' HB3' HD12 ' A' ' 38' ' ' LEU . 44.5 m80 -117.91 -36.45 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.44 53.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 146.01 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.1 mtpt -61.26 122.2 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 33.5 mt -79.1 102.29 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 mt -117.28 0.17 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.4 mt -112.07 162.55 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' HB2' HG22 ' A' ' 53' ' ' THR . 33.3 t80 -136.2 106.82 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' GLY . 2.3 t -72.23 126.66 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -79.09 -59.41 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.83 -39.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -103.89 -23.55 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' CYS . . . 69.34 30.75 71.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.3 153.01 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.7 m -77.36 133.34 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.5 pt -134.13 156.74 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.2 p -96.47 178.97 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -52.98 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 20' ' ' HIS . 9.7 mt -46.1 -43.65 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 m -59.78 -54.12 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.8 -4.02 25.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -91.12 133.43 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 1.6 tm0? -48.22 -18.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.586 ' HG3' ' CD2' ' A' ' 45' ' ' HIS . 2.3 pt-20 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 76.3 m-70 -117.42 17.86 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' CG ' ' HA ' ' A' ' 43' ' ' GLN . 16.1 ptt85 -70.68 142.52 51.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.54 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.34 137.76 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -77.13 122.51 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.6 p -115.76 158.59 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.97 145.88 49.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 105.4 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 27' ' ' PHE . 1.2 p -58.6 -54.57 45.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' GLY . 19.3 m -117.31 -18.27 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.19 134.58 0.34 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 143.43 50.54 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.367 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.4 m -53.7 113.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -117.13 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.456 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -152.61 166.18 32.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -43.63 -47.18 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.74 -142.34 15.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -68.76 146.42 52.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -75.88 154.81 35.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.71 168.93 24.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.636 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -65.81 -52.1 44.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.74 -26.87 27.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -125.74 122.68 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.5 93.69 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.62 102.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 14.6 pttp -78.2 107.48 10.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.43 101.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 52.43 47.83 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.6 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 m80 -80.21 126.1 30.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' GLY . 15.1 t -59.09 118.42 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -2.54 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.0 ttt180 -97.97 -48.02 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.9 m80 -113.6 -32.23 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 103.61 -14.03 53.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 144.92 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 mtpt -68.68 120.92 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.2 mt -71.99 102.04 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 mt -117.91 -5.63 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.166 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.5 mm? -105.35 124.19 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -94.52 114.42 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 3.1 t -75.56 138.43 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -91.4 -40.88 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 48' ' ' HIS . 2.7 tt0 -58.33 -41.77 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.16 -35.36 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 88.4 21.26 45.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HE2' HG22 ' A' ' 35' ' ' ILE . 6.4 ptmt -122.91 153.2 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.41 107.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.963 HG22 ' HE2' ' A' ' 33' ' ' LYS . 21.9 pt -101.12 166.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD23 ' A' ' 24' ' ' LEU . 11.6 p -112.1 162.2 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 1.166 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 4.8 m95 -37.1 -64.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -45.08 -36.41 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' N ' ' O ' ' A' ' 36' ' ' CYS . 65.9 m -75.49 -54.92 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.79 -38.24 60.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -82.69 -13.93 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 t -71.35 147.68 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 4.8 tt0 -61.11 -8.45 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -79.2 -40.74 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 92.8 m-70 -108.5 17.98 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 30.3 ttt-85 -60.78 137.94 58.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 -23.89 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 11.6 m170 -64.36 125.77 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.7 123.75 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 35' ' ' ILE . 21.6 p -110.65 149.91 29.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.9 m-85 -132.69 144.6 53.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.648 0.737 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 80.13 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -69.19 -30.3 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.9 p -148.23 177.41 9.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.83 141.61 3.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.43 33.67 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -150.05 147.98 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.3 m -73.25 129.47 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -90.33 171.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -131.98 137.13 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.55 55.07 0.36 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -71.67 -57.37 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -96.25 161.55 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.84 148.25 4.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.1 m -76.55 144.31 73.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -17.45 37.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.92 109.24 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.08 -91.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -85.98 110.22 19.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 ptpp? -114.95 105.86 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -122.55 101.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.93 47.98 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.598 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 31.0 m80 -82.68 126.36 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -51.96 134.01 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.7 1.44 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -108.84 -34.47 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 62.4 m80 -117.74 -34.72 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.17 14.32 51.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -93.15 145.99 24.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.598 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 34.9 mtpt -65.13 120.15 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.3 mt -76.75 102.32 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -118.04 -2.37 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 36.6 mt -108.79 139.03 44.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HB2' HG22 ' A' ' 53' ' ' THR . 36.1 t80 -110.6 114.18 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.48 134.61 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -88.9 -30.54 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.52 -39.34 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.62 -35.97 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.97 36.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.871 ' HE3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -122.91 160.95 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.651 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -83.5 109.44 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.871 HG22 ' HE3' ' A' ' 33' ' ' LYS . 10.1 pt -103.3 166.03 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.1 p -112.1 174.45 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -44.37 -62.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.4 mm? -46.75 -48.24 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.0 m -59.85 -46.75 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.5 -41.56 85.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -93.17 17.98 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ARG . 1.7 m -108.34 142.64 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 52.9 tt0 -48.8 -24.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.76 -49.0 78.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 95.0 m-70 -117.39 18.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -60.05 138.83 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.2 19.05 69.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 24.6 m170 -98.17 144.34 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.497 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 5.5 m80 -81.84 121.31 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 35' ' ' ILE . 28.8 p -117.49 148.54 41.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -130.39 142.09 44.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.721 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.78 9.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 27' ' ' PHE . 1.2 p -88.0 -50.16 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLY . 68.6 m -117.95 -17.69 9.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.36 109.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -92.83 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -160.52 161.2 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.458 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -164.19 177.33 8.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -132.6 125.59 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.85 166.08 32.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -120.87 146.5 46.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -132.57 115.97 16.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.49 -44.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.549 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 32.6 m 62.04 47.68 1.11 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.851 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.6 Cg_endo -69.83 -18.86 36.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -68.46 175.94 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.43 -143.47 3.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -124.67 106.55 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -136.05 106.41 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.0 p -139.45 103.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 58.68 47.95 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 5.2 m-70 -76.96 128.04 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.9 t -56.74 125.87 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.26 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -105.89 -41.18 5.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 52.2 m80 -117.51 -31.09 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 101.56 -17.8 54.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.99 142.22 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -62.41 137.39 58.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -89.77 103.38 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 59.9 mt -117.92 -5.0 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.9 mt -106.83 162.49 13.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' PHE . 33.7 t80 -132.8 111.12 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 15.5 t -71.77 139.04 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -92.38 -40.01 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.29 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.94 -24.36 12.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 72.17 29.27 66.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.541 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 148.17 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.4 m -70.44 128.47 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 50' ' ' THR . 35.5 pt -129.62 157.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.5 179.63 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -52.99 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -47.81 -39.61 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.8 m -70.66 -56.6 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.11 -25.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -100.0 -16.13 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -59.46 147.94 34.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.95 -21.83 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -73.43 -48.12 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.465 ' HA ' ' ND1' ' A' ' 48' ' ' HIS . 96.0 m-70 -101.01 18.02 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 128.7 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.0 -20.31 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 45' ' ' HIS . 19.3 m170 -62.25 129.07 39.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -82.56 129.8 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 35' ' ' ILE . 19.3 p -123.06 157.18 33.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 27' ' ' PHE . 48.9 m-85 -129.59 147.29 64.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.81 80.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.352 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -65.26 -32.97 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -92.28 -55.7 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.17 136.32 3.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 116.29 4.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 p -89.85 -61.12 1.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -97.66 -56.49 2.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -110.01 144.11 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -133.55 171.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 -146.61 6.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -104.98 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -139.1 138.71 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.49 80.47 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -121.42 130.28 24.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.28 11.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -119.27 104.27 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.74 160.72 8.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -99.5 102.09 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -83.53 111.63 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.636 ' O ' ' HD2' ' A' ' 16' ' ' HIS . 2.8 p -137.48 102.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 45.15 33.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.636 ' HD2' ' O ' ' A' ' 14' ' ' VAL . 4.8 m-70 -75.38 128.02 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLY . 49.8 t -56.91 124.62 19.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 2.89 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -112.82 -38.07 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 51.2 m80 -117.94 -26.53 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.498 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 88.84 -14.18 60.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.6 139.69 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HG2' ' CD2' ' A' ' 16' ' ' HIS . 16.0 mtmt -60.11 125.37 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.9 102.37 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.68 -0.39 11.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.0 145.62 39.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -118.65 115.27 24.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.19 136.12 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -91.81 -38.86 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -60.04 -38.96 84.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -105.11 -21.48 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.05 66.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.76 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.57 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 50' ' ' THR . 41.9 pt -132.02 153.96 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.8 p -97.95 176.4 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -47.84 -60.43 2.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -45.33 -42.7 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.461 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 59.1 m -67.79 -58.28 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -47.83 -42.29 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -77.56 -17.73 57.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -71.4 134.79 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -48.54 -19.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.03 -41.76 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 83.9 m-70 -117.99 17.94 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptt-85 -70.04 139.05 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.58 -23.72 4.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.0 m170 -62.9 136.62 57.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -81.3 119.38 23.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.624 HG21 HD11 ' A' ' 35' ' ' ILE . 48.1 p -119.1 148.97 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 7.2 m-85 -126.88 147.89 63.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.674 0.75 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.02 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 t -64.33 -36.59 84.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -145.4 114.29 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -161.09 148.23 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 m -111.7 138.67 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 m -78.69 -45.71 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.461 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -76.39 140.55 41.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -135.33 160.51 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.48 171.82 16.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -69.48 135.41 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -92.69 121.69 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.26 121.81 2.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 m -139.68 152.49 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.708 0.766 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 2.97 3.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -120.15 103.33 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.01 -155.24 26.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -134.22 111.56 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.3 ptmt -71.76 104.58 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.5 p -135.48 102.21 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 56.59 47.95 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.401 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 3.4 m-70 -72.02 125.5 27.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.9 t -57.45 118.33 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -2.81 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 17.4 ttt180 -98.0 -45.29 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 31.2 m80 -117.86 -28.74 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 102.03 -15.62 56.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.62 142.48 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -66.73 116.28 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 34' ' ' VAL . 6.6 mt -67.76 104.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -116.96 -4.18 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.169 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -108.02 126.75 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.04 109.15 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.45 127.84 33.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -84.2 -44.18 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 18.3 mp0 -53.14 -36.98 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -106.94 -31.67 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.76 53.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.924 ' HE2' HG22 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -124.64 151.5 44.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.944 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.684 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.73 111.0 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.924 HG22 ' HE2' ' A' ' 33' ' ' LYS . 36.3 pt -105.74 169.89 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.493 ' HB3' HD23 ' A' ' 24' ' ' LEU . 14.1 p -119.16 160.19 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 1.169 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -37.27 -53.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.1 mm? -51.51 -37.54 49.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.5 m -79.89 -56.91 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -38.45 33.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -77.88 -21.45 51.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 1.9 t -72.22 146.63 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -53.64 -24.83 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.21 -41.98 98.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 89.7 m-70 -117.89 12.86 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.47 133.5 54.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.47 81.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 29.4 m170 -96.85 135.64 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 19.4 m80 -63.82 118.88 8.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.677 HG21 HD11 ' A' ' 35' ' ' ILE . 9.2 p -125.74 141.43 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -140.83 146.37 43.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.707 0.765 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -63.75 -41.49 98.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 91.9 p -98.02 -45.05 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.8 164.79 29.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.76 12.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 m -106.08 15.53 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -92.9 -48.96 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.533 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -51.45 -50.27 60.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -72.15 166.69 21.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.51 -172.52 40.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -76.37 138.41 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -153.2 133.28 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.16 -60.43 8.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.8 t -123.23 113.98 29.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -125.23 106.4 9.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.93 148.95 35.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -60.3 102.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.53 106.84 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.555 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p -124.05 102.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 76.4 m-20 55.92 47.98 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.555 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 13.2 m170 -81.76 130.16 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -58.49 120.45 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.21 -11.43 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -88.87 -55.3 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 58.9 m80 -97.97 -43.11 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.79 -3.98 32.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.726 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.96 152.35 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 36.5 mtpt -70.88 123.3 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 36' ' ' CYS . 22.1 mt -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD12 ' HH2' ' A' ' 37' ' ' TRP . 30.9 mt -117.68 -7.22 11.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -104.34 157.59 17.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -129.27 110.89 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.38 137.0 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.15 -39.98 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.82 -41.51 86.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -101.83 -24.1 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.09 29.28 64.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.53 143.82 48.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.5 m -67.38 134.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.716 HD11 HG21 ' A' ' 50' ' ' THR . 37.8 pt -130.97 153.6 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 24' ' ' LEU . 25.8 p -94.85 178.25 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.484 ' HH2' HD12 ' A' ' 25' ' ' LEU . 1.7 m95 -54.11 -45.82 71.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.3 mm? -58.22 -46.97 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.2 m -63.77 -59.88 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' CA ' HD12 ' A' ' 35' ' ' ILE . 6.9 tm-20 -46.2 -47.38 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 41' ' ' ARG . 1.8 ptt180 -71.2 -22.41 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ARG . 7.9 t -71.54 133.08 45.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -42.69 -30.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -56.33 -44.02 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 79.5 m-70 -117.96 9.29 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 ttt-85 -64.49 138.25 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 -23.35 6.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 23.1 m170 -63.91 136.51 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -79.01 115.73 18.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.716 HG21 HD11 ' A' ' 35' ' ' ILE . 20.4 p -118.04 152.46 35.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -126.8 147.02 59.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.667 0.746 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.76 79.89 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -63.91 -33.93 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -112.89 -35.87 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.5 -151.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 179.05 4.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.9 m 54.52 41.48 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.2 m -78.06 144.41 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.497 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -72.79 137.82 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -81.41 154.38 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.83 133.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -65.58 150.04 49.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -91.35 17.08 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.89 -128.29 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 p -137.95 137.09 20.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.34 2.24 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.58 157.87 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.42 147.01 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' HG12 ' A' ' 14' ' ' VAL . 40.4 mt-30 -103.73 151.95 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -55.84 107.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.616 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.4 p -139.79 102.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 24' ' ' LEU . 42.6 m-20 52.48 48.04 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.616 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 8.6 m170 -83.38 130.73 35.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 30.5 t -59.85 121.97 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.93 -3.98 32.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -97.39 -44.19 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 54.8 m80 -111.55 -37.31 5.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 98.39 8.82 54.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.85 142.07 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 15.5 mtpp -59.93 120.83 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 15' ' ' ASP . 29.1 mt -77.85 101.96 7.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.7 5.54 12.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -115.85 168.6 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -143.85 105.54 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -67.06 136.29 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.25 -34.2 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 7.1 mm-40 -64.43 -36.29 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.99 -22.54 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.77 65.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.16 143.89 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 110.873 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' LEU . 2.9 m -66.57 131.85 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 50' ' ' THR . 31.3 pt -130.62 150.5 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -95.88 178.86 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' N ' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -49.25 -60.34 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.1 mm? -46.73 -47.72 20.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 53.5 m -59.16 -46.0 89.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.47 -38.97 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.24 17.4 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLU . 5.9 t -117.03 126.26 52.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' SER . 41.6 mt-30 -35.25 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' SER . 15.8 tt0 -50.33 -48.28 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 89.9 m-70 -117.84 -1.75 11.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -53.62 131.02 38.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.97 12.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.6 m170 -63.8 154.48 33.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 39.9 m80 -91.54 118.73 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 p -110.26 147.71 33.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -130.7 143.38 49.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 82.1 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.1 t -64.08 -33.43 75.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 p -110.27 -37.96 5.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 136.89 3.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.4 t -71.99 -51.33 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -147.1 135.81 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.471 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -74.03 -62.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -109.47 150.04 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.33 -120.63 2.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 55.63 42.19 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -162.73 161.31 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.81 -135.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -89.4 152.42 47.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -17.24 37.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.37 125.35 34.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.17 139.71 2.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -54.62 103.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -68.76 109.72 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -140.22 109.02 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 56.05 46.02 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 3.6 m-70 -74.82 129.25 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -58.76 126.58 28.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 -2.39 30.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 51.2 ttt85 -96.75 -44.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.409 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 22.5 m80 -117.96 -37.07 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 112.05 -14.64 26.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.29 142.21 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.5 ' HB2' HD11 ' A' ' 25' ' ' LEU . 32.1 mtpt -60.54 140.69 57.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 25' ' ' LEU . 8.3 mt -93.94 102.08 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.791 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -110.5 -4.31 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD11 ' CE3' ' A' ' 37' ' ' TRP . 5.3 mt -108.84 157.82 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -130.76 111.32 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.93 135.32 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -90.82 -38.95 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -38.31 80.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.21 -22.49 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.94 29.58 68.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -132.04 142.49 49.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -67.74 128.45 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 50' ' ' THR . 26.4 pt -126.32 157.9 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.175 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.0 p -100.57 179.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.684 ' CZ2' HD13 ' A' ' 25' ' ' LEU . 2.0 m95 -52.4 -59.59 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.7 mm? -46.57 -42.08 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.1 m -67.02 -61.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 35' ' ' ILE . 10.0 tp10 -47.04 -45.29 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -71.52 138.5 48.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 16.5 tm0? -54.74 -13.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.21 -39.0 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 62.1 m-70 -117.93 3.89 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.55 144.31 51.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -27.96 3.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.92 133.6 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -73.58 113.36 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.646 HG21 HD11 ' A' ' 35' ' ' ILE . 72.9 p -111.95 152.7 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -136.2 147.7 61.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.751 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' CB ' ' HA ' ' A' ' 56' ' ' PRO . 53.2 Cg_endo -69.77 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -81.16 -33.94 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 t -114.56 -36.07 4.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.26 142.02 11.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 53.6 Cg_endo -69.75 137.65 35.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.5 t -125.28 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.2 p -143.59 158.07 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.464 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -84.6 169.57 14.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -73.54 122.24 21.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.47 -170.79 28.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 m 57.47 41.66 25.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -113.63 119.14 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.46 162.2 25.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.1 m -133.71 153.24 80.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.693 0.759 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.47 34.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.04 129.1 56.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.94 124.36 1.09 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -59.47 107.75 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttp -108.61 106.76 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.0 p -138.31 102.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.5 t0 57.81 47.97 14.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 5.0 m-70 -74.59 124.02 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.9 t -56.52 123.9 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.94 -2.27 23.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 40.9 ttt180 -98.07 -43.85 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 34.9 m80 -117.97 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 106.95 -13.4 41.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 143.88 57.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.409 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 44.5 mtpt -65.7 122.74 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD12 ' CG ' ' A' ' 15' ' ' ASP . 10.1 mt -73.53 102.02 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -118.0 -1.11 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.2 mm? -111.8 129.99 55.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -105.18 106.15 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.5 138.44 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -90.58 -39.52 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.68 -50.1 74.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -91.66 -25.05 19.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.31 25.09 71.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -126.86 147.13 50.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.954 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -72.24 124.44 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' HD3' ' A' ' 33' ' ' LYS . 41.0 pt -125.5 161.18 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.22 167.8 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 3.1 m95 -45.14 -54.93 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.5 mm? -49.75 -41.74 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.82 -47.25 60.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.3 tm-20 -58.32 -40.64 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 41' ' ' ARG . 30.0 mtt180 -76.55 -3.75 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 t -88.28 138.76 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 1.2 mp0 -49.09 -29.36 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -55.19 -35.1 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 82.0 m-70 -118.01 5.85 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 43' ' ' GLN . 2.6 tpm_? -58.49 125.46 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.82 65.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.7 m170 -100.71 120.88 40.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -63.4 120.72 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 p -111.72 139.77 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' N ' ' CD1' ' A' ' 51' ' ' PHE . 3.2 m-85 -125.17 141.81 39.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 79.76 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -63.69 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.3 m -84.88 -53.04 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.17 111.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 110.66 2.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -130.5 116.6 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -59.99 174.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.469 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -91.42 -49.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -53.87 127.12 24.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.92 -150.33 20.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.73 110.99 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -53.83 -42.96 69.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 147.41 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.563 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 15.5 t 57.79 46.71 1.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.6 Cg_endo -69.79 -23.6 30.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.9 pp20? 33.6 32.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' PRO . . . -109.34 -141.79 9.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 3.4 pp0? -63.18 110.33 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -137.41 104.99 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.593 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.8 p -124.26 102.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.69 47.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 10.7 m-70 -87.47 129.08 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 t -55.01 122.93 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -6.89 29.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -98.16 -51.33 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 38' ' ' LEU . 56.7 m80 -98.15 -42.33 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.95 17.06 31.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.31 150.59 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.405 . . . . 0.0 110.883 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 42.0 mtpt -63.01 124.48 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 36' ' ' CYS . 21.0 mt -87.23 103.8 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 mt -118.03 13.02 13.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.18 144.1 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -119.13 109.49 15.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HA ' HG22 ' A' ' 50' ' ' THR . 6.6 t -67.59 142.51 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 pp0? -93.4 -40.55 10.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 5.3 mm-40 -59.31 -41.62 89.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -99.28 -36.92 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.83 31.91 22.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.993 ' HE2' HG22 ' A' ' 35' ' ' ILE . 3.2 ptmt -129.79 168.58 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.97 115.56 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.993 HG22 ' HE2' ' A' ' 33' ' ' LYS . 18.9 pt -109.44 158.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.653 ' HB3' HD23 ' A' ' 24' ' ' LEU . 15.2 p -106.79 179.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -52.53 -50.0 63.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.0 mm? -57.55 -47.65 81.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 m -61.78 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.81 -40.75 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -89.82 16.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ARG . 18.9 t -110.54 141.76 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 96.0 mt-30 -46.39 -30.68 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.85 -48.86 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.4 m-70 -117.97 13.58 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 42' ' ' SER . 39.5 ttm-85 -61.34 124.91 21.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.02 14.72 74.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 25.4 m170 -96.66 139.21 33.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -79.55 111.48 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.854 HG21 HD11 ' A' ' 35' ' ' ILE . 82.2 p -115.27 153.18 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -135.56 150.73 72.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 98.45 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -83.97 -33.34 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 55' ' ' GLY . 65.6 m -84.37 -43.19 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.76 101.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -12.22 32.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -44.34 -54.91 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -80.57 -53.21 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.917 0.389 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.627 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 8.6 m80 -79.37 124.79 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.9 t -52.64 119.96 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.5 -4.28 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -97.63 -46.41 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.524 ' CD2' HD12 ' A' ' 38' ' ' LEU . 68.9 m80 -108.75 -36.31 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.25 8.11 50.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.16 145.18 25.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.627 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 31.9 mtpt -60.66 130.43 46.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -87.63 102.08 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 61.3 mt -117.96 2.91 12.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 mt -112.21 152.94 27.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' PHE . 40.6 t80 -127.32 110.95 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.452 ' HA ' HG22 ' A' ' 50' ' ' THR . 45.4 t -74.77 137.95 42.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -87.1 -49.55 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -49.85 -36.92 28.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 33' ' ' LYS . 8.7 m-20 -103.05 -35.95 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.04 26.95 42.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 31' ' ' ASP . 1.1 ptpp? -125.19 177.12 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.6 118.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 50' ' ' THR . 43.5 pt -115.4 167.52 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.85 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -52.18 -61.95 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 20' ' ' HIS . 9.1 mt -49.35 -47.42 47.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.7 m -56.02 -54.38 45.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -51.56 -44.43 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -86.94 17.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -102.36 145.77 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -49.65 -17.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -72.29 -52.29 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.8 m-70 -111.02 17.95 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.1 ttp85 -58.2 129.11 40.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.49 -20.84 9.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.2 m170 -62.88 135.34 57.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -86.59 117.23 25.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.784 HG21 HD11 ' A' ' 35' ' ' ILE . 43.6 p -112.9 157.27 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' PHE . 86.2 m-85 -126.28 146.89 57.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 24' ' ' LEU . 46.8 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.868 0.366 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 2.8 m80 -79.63 129.07 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.6 t -57.47 122.76 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.81 -3.04 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 50.5 ttt85 -97.88 -44.37 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 23.2 m80 -117.9 -32.92 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.539 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.48 -11.63 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.92 145.25 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 38.5 mttt -63.1 126.2 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' ASP . 15.9 mt -84.58 102.01 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 mt -117.99 1.49 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 mt -113.03 158.78 19.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -133.58 114.95 14.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.37 135.39 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -88.31 -40.33 13.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.57 -41.13 84.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.55 -24.13 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.58 28.28 65.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.79 155.69 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.34 136.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG21 ' A' ' 50' ' ' THR . 27.9 pt -133.19 147.94 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 p -94.44 179.0 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -50.66 -54.24 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.568 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.2 mm? -52.62 -44.73 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 61.4 m -63.62 -54.72 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.81 -46.08 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -82.58 17.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -106.56 137.18 45.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -47.32 -19.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.23 -45.7 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 98.2 m-70 -117.92 14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.68 120.88 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -25.71 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.9 m170 -62.81 133.52 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -74.73 117.82 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.86 HG21 HD11 ' A' ' 35' ' ' ILE . 38.7 p -114.07 153.47 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.2 m-85 -139.91 148.51 55.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.695 0.76 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.222 0 C-N-CA 122.704 2.27 . . . . 0.0 112.34 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.794 0.33 . . . . 0.0 110.833 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 1.8 m80 -80.11 127.76 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.5 t -56.32 124.45 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -1.54 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.1 ttt180 -98.74 -44.19 6.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 24.4 m80 -117.83 -34.42 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 105.97 -13.33 45.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.52 145.04 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.904 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.4 mtpm? -61.81 135.56 57.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 15' ' ' ASP . 8.7 mt -90.18 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 40.3 mt -117.61 -6.35 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.3 156.12 18.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -128.83 114.5 16.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HA ' HG22 ' A' ' 50' ' ' THR . 1.8 t -76.36 135.09 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.8 -39.82 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.62 -41.47 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.72 -21.72 14.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.71 26.08 73.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.05 144.39 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 34' ' ' VAL . 1.2 m -67.27 131.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.865 HD11 HG21 ' A' ' 50' ' ' THR . 37.3 pt -128.33 153.18 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 p -97.64 174.86 6.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -47.68 -56.27 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.8 mm? -49.44 -49.21 46.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.4 -59.35 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CA ' HD12 ' A' ' 35' ' ' ILE . 50.1 tt0 -48.22 -42.39 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 10.7 ptm180 -80.09 -13.83 58.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -76.61 134.4 39.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -45.89 -20.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -45.6 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 78.2 m-70 -115.82 17.78 15.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -71.94 141.19 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -24.19 4.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.7 m170 -63.07 141.06 58.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -81.03 116.73 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.865 HG21 HD11 ' A' ' 35' ' ' ILE . 71.5 p -119.59 151.03 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.3 m-85 -133.93 147.78 65.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.201 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.342 . . . . 0.0 110.854 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.589 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.2 m80 -75.37 130.28 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.8 t -56.37 125.79 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -2.36 25.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 62.3 ttt180 -98.88 -43.83 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 31.2 m80 -117.97 -34.02 4.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.555 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 107.5 -16.99 37.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 141.59 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 28.3 mtpt -60.31 137.43 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.9 105.58 17.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.1 mt -116.26 -4.39 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.6 mt -108.04 162.19 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -135.11 107.54 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 2.0 t -69.48 134.56 49.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -91.39 -38.15 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -60.57 -35.97 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.3 -23.29 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 71.3 34.83 63.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -137.31 141.67 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 34' ' ' VAL . 2.0 m -67.07 129.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.562 HG23 ' HD3' ' A' ' 33' ' ' LYS . 50.4 pt -131.4 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -97.97 179.46 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.74 -53.51 54.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.594 HD13 ' HE ' ' A' ' 41' ' ' ARG . 3.1 mm? -52.17 -41.24 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.415 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.2 m -67.13 -60.05 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -48.34 -42.55 31.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 38' ' ' LEU . 15.7 ptt85 -75.56 -17.34 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -70.78 138.79 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -49.76 -19.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -70.66 -41.22 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 86.5 m-70 -117.95 17.99 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -65.72 141.64 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.56 19.97 65.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.2 m170 -98.16 134.71 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -66.98 120.49 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -127.13 146.3 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.4 144.76 54.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.803 0.335 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.597 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 5.7 m80 -77.68 127.52 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.1 t -57.92 127.69 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.78 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -101.12 -41.12 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 39.1 m80 -118.05 -35.17 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 105.82 -13.93 45.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -66.67 145.12 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.832 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 12.2 mtpp -64.21 137.33 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.76 103.26 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 mt -117.12 -2.29 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.43 ' O ' HG12 ' A' ' 34' ' ' VAL . 89.0 mt -108.01 166.33 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -139.3 109.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.77 137.85 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.48 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -92.49 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.37 -38.39 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -104.34 -19.19 14.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.61 32.7 84.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.61 139.74 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.3 m -60.73 131.83 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 50' ' ' THR . 49.2 pt -132.14 154.29 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -95.79 178.92 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -53.46 -54.47 36.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.5 mm? -53.22 -37.88 62.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 26.2 m -70.07 -59.65 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.5 tm-20 -51.08 -37.96 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.418 ' HD2' ' C ' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -86.16 -16.94 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.1 m -67.64 149.7 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 24.0 tt0 -59.71 -9.18 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 91.2 m-70 -111.73 17.74 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 22.6 ttt180 -60.99 134.31 56.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.4 17.45 77.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.4 m170 -100.02 137.59 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 19.0 m80 -77.9 122.96 26.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 19.1 p -118.19 140.63 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.95 143.38 36.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.207 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.822 0.344 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.606 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 2.6 m80 -83.39 124.8 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.0 t -53.44 129.07 31.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 2.83 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 46.1 ttt85 -108.94 -37.8 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 49.4 m80 -117.77 -33.24 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.73 -11.44 61.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -67.61 149.87 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.606 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 20.1 mtmm -68.64 136.92 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.667 HD23 ' HB3' ' A' ' 36' ' ' CYS . 13.4 mt -94.69 105.83 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -118.04 -0.8 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.4 mt -111.38 141.0 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -106.45 116.13 31.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.15 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -86.47 -32.01 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.66 -30.26 71.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -116.16 -25.61 7.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.82 26.76 55.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.978 ' HE2' HG22 ' A' ' 35' ' ' ILE . 2.4 ptmt -132.0 151.66 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.66 115.23 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.978 HG22 ' HE2' ' A' ' 33' ' ' LYS . 27.8 pt -105.97 165.82 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.667 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.5 p -107.55 178.69 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -50.18 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.417 HD23 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mm? -47.55 -43.98 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 m -61.59 -59.06 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 2.3 tm-20 -51.41 -42.16 61.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 7.1 ptm180 -83.27 -9.04 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -81.51 147.58 29.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -56.42 -18.19 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.6 -44.57 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.0 m-70 -117.19 17.96 14.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -62.36 140.27 58.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.54 27.08 63.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 22.1 m170 -99.34 136.29 39.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.26 121.61 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 35' ' ' ILE . 10.4 p -133.66 145.69 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -137.76 148.85 62.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 110.865 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.9 m80 -82.06 132.09 35.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.9 t -58.93 128.81 39.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.38 0.32 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -102.64 -41.47 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -117.88 -35.21 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 104.42 -12.7 51.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.3 142.31 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 110.863 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 55.0 mtpt -59.9 135.03 57.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 34' ' ' VAL . 9.0 mt -88.39 103.06 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt -117.96 12.57 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.14 143.81 51.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -118.78 108.25 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.7 t -71.41 136.77 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 8.2 mm-40 -88.67 -43.6 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.2 -38.32 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -100.31 -33.35 10.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 28.39 40.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.16 175.14 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.502 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.53 119.39 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.676 HD11 HG21 ' A' ' 50' ' ' THR . 29.6 pt -113.37 166.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.04 174.54 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -44.86 -64.03 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.1 mm? -45.36 -48.29 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.79 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.35 -41.54 80.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -86.3 16.36 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' GLU . 1.7 m -114.7 135.52 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' SER . 33.1 tt0 -54.89 -49.93 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.1 m-70 -118.03 14.73 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -61.78 127.0 29.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.27 18.26 78.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.1 m170 -97.42 138.09 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -70.33 113.3 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 35' ' ' ILE . 66.9 p -117.87 156.64 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 50' ' ' THR . 2.9 m-85 -148.03 144.52 19.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.828 0.347 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.531 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 10.6 m-70 -85.59 134.86 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 18.4 t -58.14 120.93 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -9.37 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 36.1 ttt85 -92.74 -54.62 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.561 ' HB3' HD12 ' A' ' 38' ' ' LEU . 49.6 m80 -99.41 -40.5 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.89 9.08 46.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 150.17 25.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 34.5 mtpt -62.41 123.64 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -83.11 102.63 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 41.4 mt -116.92 -0.04 12.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' OE1' ' A' ' 40' ' ' GLU . 18.9 mt -111.44 163.57 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.2 t80 -137.63 108.03 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' HG22 ' A' ' 50' ' ' THR . 2.2 t -69.37 129.3 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -85.2 -42.06 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -56.84 -41.18 77.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.79 -21.28 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.81 30.52 70.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.34 148.2 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.3 135.92 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG21 ' A' ' 50' ' ' THR . 29.9 pt -135.6 156.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.56 174.01 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -48.06 -64.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 20' ' ' HIS . 8.2 mt -45.41 -40.36 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.94 -51.71 56.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.676 ' OE1' HD13 ' A' ' 26' ' ' LEU . 33.1 tt0 -55.7 -43.34 76.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 20.2 ptt180 -76.59 -10.78 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 t -77.2 136.15 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -49.75 -18.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.98 -43.39 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 86.4 m-70 -117.38 17.9 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -67.06 140.94 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.41 -26.11 3.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.9 m170 -63.06 137.56 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -86.29 128.84 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.645 HG21 HD11 ' A' ' 35' ' ' ILE . 31.0 p -125.34 157.09 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -124.3 146.75 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.849 0.356 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.0 m80 -77.67 131.23 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.6 t -59.39 127.16 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.05 1.6 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -105.94 -41.36 5.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 36.3 m80 -118.03 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -16.03 56.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG2' HD23 ' A' ' 38' ' ' LEU . 8.2 mm-40 -61.4 143.69 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.631 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 5.8 mtpm? -64.05 129.98 42.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.0 102.75 12.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.431 HD12 ' CH2' ' A' ' 37' ' ' TRP . 16.6 mt -118.02 2.41 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.418 HD11 ' CZ3' ' A' ' 37' ' ' TRP . 12.5 mt -117.03 151.6 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.85 112.5 17.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.7 t -74.14 133.65 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -88.43 -39.14 14.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.72 -38.21 81.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -105.53 -20.42 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.44 29.92 73.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -132.75 149.86 52.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.8 130.21 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.551 HG23 ' HD3' ' A' ' 33' ' ' LYS . 44.1 pt -132.57 153.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.72 178.5 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CH2' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -51.16 -54.08 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -51.27 -33.78 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.497 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 36.0 m -78.44 -57.44 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -50.77 -37.67 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -80.61 -12.8 59.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -72.03 142.53 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.502 ' CG ' ' NH1' ' A' ' 46' ' ' ARG . 18.0 tm0? -56.39 -12.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -73.39 -40.46 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.7 m-70 -107.79 17.97 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 43' ' ' GLN . 8.2 ttm180 -59.04 130.95 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.44 19.74 79.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.3 m170 -100.36 128.25 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.73 127.86 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -124.92 157.95 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 8.0 m-85 -140.7 147.03 47.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 8.4 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.794 0.33 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 2.6 m80 -75.66 128.63 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -60.57 125.29 23.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.91 -1.27 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 14.5 ttt85 -99.75 -41.1 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.605 ' HB3' HD12 ' A' ' 38' ' ' LEU . 44.5 m80 -117.91 -36.45 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.44 53.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 146.01 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 27.1 mtpt -61.26 122.2 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 33.5 mt -79.1 102.29 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 mt -117.28 0.17 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.4 mt -112.07 162.55 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -136.2 106.82 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' GLY . 2.3 t -72.23 126.66 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -79.09 -59.41 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.83 -39.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -103.89 -23.55 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' CYS . . . 69.34 30.75 71.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.3 153.01 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.7 m -77.36 133.34 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.5 pt -134.13 156.74 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.2 p -96.47 178.97 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -52.98 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 20' ' ' HIS . 9.7 mt -46.1 -43.65 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 m -59.78 -54.12 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.8 -4.02 25.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -91.12 133.43 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 1.6 tm0? -48.22 -18.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.586 ' HG3' ' CD2' ' A' ' 45' ' ' HIS . 2.3 pt-20 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 76.3 m-70 -117.42 17.86 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.411 ' CG ' ' HA ' ' A' ' 43' ' ' GLN . 16.1 ptt85 -70.68 142.52 51.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.54 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.34 137.76 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -77.13 122.51 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.6 p -115.76 158.59 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.97 145.88 49.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.802 0.334 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.6 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 m80 -80.21 126.1 30.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' GLY . 15.1 t -59.09 118.42 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -2.54 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.0 ttt180 -97.97 -48.02 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.9 m80 -113.6 -32.23 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 103.61 -14.03 53.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 144.92 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 mtpt -68.68 120.92 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.2 mt -71.99 102.04 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 mt -117.91 -5.63 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.166 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.5 mm? -105.35 124.19 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -94.52 114.42 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 3.1 t -75.56 138.43 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -91.4 -40.88 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 48' ' ' HIS . 2.7 tt0 -58.33 -41.77 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.16 -35.36 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 88.4 21.26 45.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HE2' HG22 ' A' ' 35' ' ' ILE . 6.4 ptmt -122.91 153.2 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.41 107.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.963 HG22 ' HE2' ' A' ' 33' ' ' LYS . 21.9 pt -101.12 166.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD23 ' A' ' 24' ' ' LEU . 11.6 p -112.1 162.2 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 1.166 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 4.8 m95 -37.1 -64.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -45.08 -36.41 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 65.9 m -75.49 -54.92 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.79 -38.24 60.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -82.69 -13.93 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 t -71.35 147.68 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 4.8 tt0 -61.11 -8.45 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -79.2 -40.74 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 92.8 m-70 -108.5 17.98 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 30.3 ttt-85 -60.78 137.94 58.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 -23.89 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 11.6 m170 -64.36 125.77 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.7 123.75 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 35' ' ' ILE . 21.6 p -110.65 149.91 29.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.9 m-85 -132.69 144.6 53.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.648 0.737 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.598 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 31.0 m80 -82.68 126.36 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -51.96 134.01 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.7 1.44 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -108.84 -34.47 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 62.4 m80 -117.74 -34.72 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.17 14.32 51.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -93.15 145.99 24.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.598 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 34.9 mtpt -65.13 120.15 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.3 mt -76.75 102.32 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -118.04 -2.37 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 36.6 mt -108.79 139.03 44.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.1 t80 -110.6 114.18 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.48 134.61 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -88.9 -30.54 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.52 -39.34 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.62 -35.97 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.97 36.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.871 ' HE3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -122.91 160.95 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.651 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -83.5 109.44 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.871 HG22 ' HE3' ' A' ' 33' ' ' LYS . 10.1 pt -103.3 166.03 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.1 p -112.1 174.45 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -44.37 -62.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.4 mm? -46.75 -48.24 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.0 m -59.85 -46.75 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.5 -41.56 85.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -93.17 17.98 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ARG . 1.7 m -108.34 142.64 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 52.9 tt0 -48.8 -24.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.76 -49.0 78.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 95.0 m-70 -117.39 18.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -60.05 138.83 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.2 19.05 69.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 24.6 m170 -98.17 144.34 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.497 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 5.5 m80 -81.84 121.31 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 35' ' ' ILE . 28.8 p -117.49 148.54 41.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -130.39 142.09 44.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.721 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.845 0.355 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.7 m80 -76.96 128.04 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.9 t -56.74 125.87 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.26 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -105.89 -41.18 5.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 52.2 m80 -117.51 -31.09 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -17.8 54.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.99 142.22 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.9 mtpm? -62.41 137.39 58.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -89.77 103.38 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 59.9 mt -117.92 -5.0 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.9 mt -106.83 162.49 13.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' PHE . 33.7 t80 -132.8 111.12 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.422 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 15.5 t -71.77 139.04 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.38 -40.01 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.29 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.94 -24.36 12.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 72.17 29.27 66.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.541 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 148.17 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.4 m -70.44 128.47 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 50' ' ' THR . 35.5 pt -129.62 157.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.5 179.63 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -52.99 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -47.81 -39.61 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.8 m -70.66 -56.6 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.11 -25.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -100.0 -16.13 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -59.46 147.94 34.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.95 -21.83 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -73.43 -48.12 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.465 ' HA ' ' ND1' ' A' ' 48' ' ' HIS . 96.0 m-70 -101.01 18.02 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 128.7 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.0 -20.31 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 45' ' ' HIS . 19.3 m170 -62.25 129.07 39.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -82.56 129.8 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 35' ' ' ILE . 19.3 p -123.06 157.18 33.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 27' ' ' PHE . 48.9 m-85 -129.59 147.29 64.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.352 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.869 0.366 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.593 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 5.3 m80 -75.38 128.02 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLY . 49.8 t -56.91 124.62 19.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 2.89 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -112.82 -38.07 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 51.2 m80 -117.94 -26.53 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 88.84 -14.18 60.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.6 139.69 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 16.0 mtmt -60.11 125.37 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.9 102.37 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.68 -0.39 11.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.0 145.62 39.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -118.65 115.27 24.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.19 136.12 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -91.81 -38.86 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -60.04 -38.96 84.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -105.11 -21.48 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.05 66.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.76 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.57 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 50' ' ' THR . 41.9 pt -132.02 153.96 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.8 p -97.95 176.4 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -47.84 -60.43 2.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -45.33 -42.7 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.461 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 59.1 m -67.79 -58.28 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -47.83 -42.29 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -77.56 -17.73 57.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -71.4 134.79 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -48.54 -19.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.03 -41.76 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 83.9 m-70 -117.99 17.94 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptt-85 -70.04 139.05 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.58 -23.72 4.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.0 m170 -62.9 136.62 57.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -81.3 119.38 23.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.624 HG21 HD11 ' A' ' 35' ' ' ILE . 48.1 p -119.1 148.97 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 7.2 m-85 -126.88 147.89 63.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.674 0.75 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 -180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.804 0.335 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.2 m80 -72.02 125.5 27.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.9 t -57.45 118.33 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -2.81 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 17.4 ttt180 -98.0 -45.29 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 31.2 m80 -117.86 -28.74 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 102.03 -15.62 56.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.62 142.48 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 8.2 mtpp -66.73 116.28 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 34' ' ' VAL . 6.6 mt -67.76 104.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -116.96 -4.18 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.169 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -108.02 126.75 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.04 109.15 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.45 127.84 33.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -84.2 -44.18 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 18.3 mp0 -53.14 -36.98 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -106.94 -31.67 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.76 53.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.924 ' HE2' HG22 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -124.64 151.5 44.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.944 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.684 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.73 111.0 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.924 HG22 ' HE2' ' A' ' 33' ' ' LYS . 36.3 pt -105.74 169.89 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.493 ' HB3' HD23 ' A' ' 24' ' ' LEU . 14.1 p -119.16 160.19 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 1.169 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -37.27 -53.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.1 mm? -51.51 -37.54 49.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.5 m -79.89 -56.91 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -38.45 33.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -77.88 -21.45 51.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 1.9 t -72.22 146.63 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -53.64 -24.83 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.21 -41.98 98.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 89.7 m-70 -117.89 12.86 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.47 133.5 54.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.47 81.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 29.4 m170 -96.85 135.64 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 19.4 m80 -63.82 118.88 8.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.677 HG21 HD11 ' A' ' 35' ' ' ILE . 9.2 p -125.74 141.43 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -140.83 146.37 43.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.707 0.765 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.214 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 76.4 m-20 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.457 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 13.2 m170 -81.76 130.16 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -58.49 120.45 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.21 -11.43 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -88.87 -55.3 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 58.9 m80 -97.97 -43.11 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.79 -3.98 32.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.726 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.96 152.35 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 36.5 mtpt -70.88 123.3 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 36' ' ' CYS . 22.1 mt -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.484 HD12 ' HH2' ' A' ' 37' ' ' TRP . 30.9 mt -117.68 -7.22 11.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -104.34 157.59 17.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -129.27 110.89 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.38 137.0 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.15 -39.98 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.82 -41.51 86.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -101.83 -24.1 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.09 29.28 64.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.53 143.82 48.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.5 m -67.38 134.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.716 HD11 HG21 ' A' ' 50' ' ' THR . 37.8 pt -130.97 153.6 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 24' ' ' LEU . 25.8 p -94.85 178.25 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.484 ' HH2' HD12 ' A' ' 25' ' ' LEU . 1.7 m95 -54.11 -45.82 71.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.3 mm? -58.22 -46.97 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.2 m -63.77 -59.88 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.529 ' CA ' HD12 ' A' ' 35' ' ' ILE . 6.9 tm-20 -46.2 -47.38 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 41' ' ' ARG . 1.8 ptt180 -71.2 -22.41 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ARG . 7.9 t -71.54 133.08 45.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -42.69 -30.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -56.33 -44.02 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 79.5 m-70 -117.96 9.29 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 ttt-85 -64.49 138.25 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 -23.35 6.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 23.1 m170 -63.91 136.51 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -79.01 115.73 18.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.716 HG21 HD11 ' A' ' 35' ' ' ILE . 20.4 p -118.04 152.46 35.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -126.8 147.02 59.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.667 0.746 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 24' ' ' LEU . 42.6 m-20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.84 0.352 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 8.6 m170 -83.38 130.73 35.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 30.5 t -59.85 121.97 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.93 -3.98 32.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -97.39 -44.19 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 54.8 m80 -111.55 -37.31 5.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 98.39 8.82 54.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.85 142.07 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 15.5 mtpp -59.93 120.83 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 15' ' ' ASP . 29.1 mt -77.85 101.96 7.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.7 5.54 12.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -115.85 168.6 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -143.85 105.54 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -67.06 136.29 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.25 -34.2 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 7.1 mm-40 -64.43 -36.29 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.99 -22.54 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.77 65.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.16 143.89 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 110.873 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' LEU . 2.9 m -66.57 131.85 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 50' ' ' THR . 31.3 pt -130.62 150.5 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -95.88 178.86 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' N ' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -49.25 -60.34 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.1 mm? -46.73 -47.72 20.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 53.5 m -59.16 -46.0 89.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.47 -38.97 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.24 17.4 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLU . 5.9 t -117.03 126.26 52.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' SER . 41.6 mt-30 -35.25 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' SER . 15.8 tt0 -50.33 -48.28 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 89.9 m-70 -117.84 -1.75 11.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -53.62 131.02 38.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.97 12.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.6 m170 -63.8 154.48 33.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 39.9 m80 -91.54 118.73 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 p -110.26 147.71 33.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -130.7 143.38 49.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.788 0.328 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.597 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.82 129.25 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -58.76 126.58 28.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 -2.39 30.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 51.2 ttt85 -96.75 -44.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.409 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 22.5 m80 -117.96 -37.07 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 112.05 -14.64 26.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.29 142.21 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 32.1 mtpt -60.54 140.69 57.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 25' ' ' LEU . 8.3 mt -93.94 102.08 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.791 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -110.5 -4.31 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD11 ' CE3' ' A' ' 37' ' ' TRP . 5.3 mt -108.84 157.82 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -130.76 111.32 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.93 135.32 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -90.82 -38.95 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -38.31 80.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.21 -22.49 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.94 29.58 68.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -132.04 142.49 49.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -67.74 128.45 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 50' ' ' THR . 26.4 pt -126.32 157.9 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.175 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.0 p -100.57 179.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.684 ' CZ2' HD13 ' A' ' 25' ' ' LEU . 2.0 m95 -52.4 -59.59 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.7 mm? -46.57 -42.08 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.1 m -67.02 -61.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 35' ' ' ILE . 10.0 tp10 -47.04 -45.29 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -71.52 138.5 48.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 16.5 tm0? -54.74 -13.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.21 -39.0 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 62.1 m-70 -117.93 3.89 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.55 144.31 51.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -27.96 3.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.92 133.6 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -73.58 113.36 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.646 HG21 HD11 ' A' ' 35' ' ' ILE . 72.9 p -111.95 152.7 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -136.2 147.7 61.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.751 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.2 Cg_endo . . . . . 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.5 t0 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.832 0.348 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.609 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.59 124.02 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.9 t -56.52 123.9 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.94 -2.27 23.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 40.9 ttt180 -98.07 -43.85 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 34.9 m80 -117.97 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 106.95 -13.4 41.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 143.88 57.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 44.5 mtpt -65.7 122.74 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD12 ' CG ' ' A' ' 15' ' ' ASP . 10.1 mt -73.53 102.02 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -118.0 -1.11 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.2 mm? -111.8 129.99 55.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -105.18 106.15 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.5 138.44 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -90.58 -39.52 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.68 -50.1 74.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -91.66 -25.05 19.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.31 25.09 71.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -126.86 147.13 50.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.954 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -72.24 124.44 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' HD3' ' A' ' 33' ' ' LYS . 41.0 pt -125.5 161.18 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.22 167.8 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 3.1 m95 -45.14 -54.93 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.5 mm? -49.75 -41.74 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.82 -47.25 60.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.3 tm-20 -58.32 -40.64 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 41' ' ' ARG . 30.0 mtt180 -76.55 -3.75 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 t -88.28 138.76 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -49.09 -29.36 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -55.19 -35.1 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 82.0 m-70 -118.01 5.85 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 43' ' ' GLN . 2.6 tpm_? -58.49 125.46 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.82 65.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.7 m170 -100.71 120.88 40.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -63.4 120.72 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 p -111.72 139.77 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.2 m-85 -125.17 141.81 39.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.232 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.804 0.335 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.544 ' NE2' ' HG2' ' A' ' 23' ' ' LYS . 10.7 m-70 -87.47 129.08 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 t -55.01 122.93 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -6.89 29.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -98.16 -51.33 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 38' ' ' LEU . 56.7 m80 -98.15 -42.33 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.95 17.06 31.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.31 150.59 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.405 . . . . 0.0 110.883 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 42.0 mtpt -63.01 124.48 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 36' ' ' CYS . 21.0 mt -87.23 103.8 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 mt -118.03 13.02 13.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.18 144.1 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -119.13 109.49 15.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HA ' HG22 ' A' ' 50' ' ' THR . 6.6 t -67.59 142.51 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 pp0? -93.4 -40.55 10.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 5.3 mm-40 -59.31 -41.62 89.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -99.28 -36.92 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.83 31.91 22.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.993 ' HE2' HG22 ' A' ' 35' ' ' ILE . 3.2 ptmt -129.79 168.58 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.97 115.56 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.993 HG22 ' HE2' ' A' ' 33' ' ' LYS . 18.9 pt -109.44 158.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.653 ' HB3' HD23 ' A' ' 24' ' ' LEU . 15.2 p -106.79 179.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -52.53 -50.0 63.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.0 mm? -57.55 -47.65 81.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 m -61.78 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.81 -40.75 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -89.82 16.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ARG . 18.9 t -110.54 141.76 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 96.0 mt-30 -46.39 -30.68 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.85 -48.86 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.4 m-70 -117.97 13.58 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 42' ' ' SER . 39.5 ttm-85 -61.34 124.91 21.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.02 14.72 74.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 25.4 m170 -96.66 139.21 33.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -79.55 111.48 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.854 HG21 HD11 ' A' ' 35' ' ' ILE . 82.2 p -115.27 153.18 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -135.56 150.73 72.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -147.03 129.54 15.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.5 t -60.27 -47.31 86.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.06 164.17 10.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.504 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.7 p -93.28 -43.69 8.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.7 t -121.05 111.31 17.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.07 59.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.0 m -140.8 135.32 15.45 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 121.681 0.753 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -19.28 36.33 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.728 2.285 . . . . 0.0 112.347 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 33.8 mp0 -86.79 14.19 7.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.61 143.62 22.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.458 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -56.08 102.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.819 0.343 . . . . 0.0 110.943 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 34.5 mtmt -70.34 102.19 2.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.3 p -130.38 108.65 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 53.17 47.87 23.46 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.627 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 8.6 m80 -79.37 124.79 28.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.912 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 21' ' ' GLY . 17.9 t -52.64 119.96 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.5 -4.28 25.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.107 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.5 ttt85 -97.63 -46.41 6.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.524 ' CD2' HD12 ' A' ' 38' ' ' LEU . 68.9 m80 -108.75 -36.31 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.25 8.11 50.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -89.16 145.18 25.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.913 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.627 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 31.9 mtpt -60.66 130.43 46.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 18.1 mt -87.63 102.08 14.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 61.3 mt -117.96 2.91 12.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 43.1 mt -112.21 152.94 27.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' N ' ' O ' ' A' ' 51' ' ' PHE . 40.6 t80 -127.32 110.95 13.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.452 ' HA ' HG22 ' A' ' 50' ' ' THR . 45.4 t -74.77 137.95 42.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -87.1 -49.55 7.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -49.85 -36.92 28.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.411 ' HB3' ' HG2' ' A' ' 33' ' ' LYS . 8.7 m-20 -103.05 -35.95 8.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 83.04 26.95 42.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.461 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' HG2' ' HB3' ' A' ' 31' ' ' ASP . 1.1 ptpp? -125.19 177.12 6.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.862 0.363 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -100.6 118.22 46.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.112 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.784 HD11 HG21 ' A' ' 50' ' ' THR . 43.5 pt -115.4 167.52 8.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.9 p -103.85 178.59 4.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 3.3 m95 -52.18 -61.95 1.94 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD12 ' CD2' ' A' ' 20' ' ' HIS . 9.1 mt -49.35 -47.42 47.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.905 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.7 m -56.02 -54.38 45.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -51.56 -44.43 62.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 55.9 mtm180 -86.94 17.65 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.41 ' O ' ' N ' ' A' ' 46' ' ' ARG . 3.8 t -102.36 145.77 29.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.883 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -49.65 -17.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -72.29 -52.29 16.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.8 m-70 -111.02 17.95 19.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.851 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 42' ' ' SER . 24.1 ttp85 -58.2 129.11 40.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.49 -20.84 9.96 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.479 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.458 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.2 m170 -62.88 135.34 57.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 0.0 110.834 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -86.59 117.23 25.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.884 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.784 HG21 HD11 ' A' ' 35' ' ' ILE . 43.6 p -112.9 157.27 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 27' ' ' PHE . 86.2 m-85 -126.28 146.89 57.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.632 0.73 . . . . 0.0 110.913 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.422 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.73 112.45 3.08 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.692 2.261 . . . . 0.0 112.379 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.8 p -72.22 -45.2 61.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 4.7 t 59.25 43.9 16.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.411 ' HA3' ' HD2' ' A' ' 56' ' ' PRO . . . 66.31 -147.96 50.4 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.512 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.411 ' HD2' ' HA3' ' A' ' 55' ' ' GLY . 53.9 Cg_endo -69.78 80.34 0.89 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.674 2.249 . . . . 0.0 112.368 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 9.3 t -157.95 138.09 12.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 11.3 t -79.03 -57.33 3.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.459 -179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 1' ' ' GLY . 28.9 p -36.88 -60.56 0.61 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.898 0.38 . . . . 0.0 110.896 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.9 m -121.15 139.35 53.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.38 -70.3 0.52 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.0 m 60.95 43.65 11.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.836 0.35 . . . . 0.0 110.859 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -82.2 156.84 24.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.86 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.74 107.37 1.74 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.486 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 m -95.55 139.87 22.11 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.66 0.743 . . . . 0.0 110.871 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -51.65 0.37 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.689 2.26 . . . . 0.0 112.356 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 52.0 40.53 28.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -69.12 125.65 18.91 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -99.18 107.89 20.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.857 0.36 . . . . 0.0 110.968 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.5 ptpt -68.64 106.59 2.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.429 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.5 p -139.62 105.87 2.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.434 ' O ' HD12 ' A' ' 24' ' ' LEU . 46.8 m-20 53.58 47.86 22.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.539 ' CD2' ' O ' ' A' ' 21' ' ' GLY . 2.8 m80 -79.63 129.07 34.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.842 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.6 t -57.47 122.76 13.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.81 -3.04 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 50.5 ttt85 -97.88 -44.37 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 23.2 m80 -117.9 -32.92 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.539 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.48 -11.63 58.16 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.453 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.568 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -60.92 145.25 51.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.873 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.458 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 38.5 mttt -63.1 126.2 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.869 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.434 HD12 ' O ' ' A' ' 15' ' ' ASP . 15.9 mt -84.58 102.01 12.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 37.3 mt -117.99 1.49 12.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.7 mt -113.03 158.78 19.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.9 t80 -133.58 114.95 14.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.1 t -76.37 135.39 39.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -88.31 -40.33 13.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -58.57 -41.13 84.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -101.55 -24.13 14.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.58 28.28 65.77 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.566 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.79 155.69 46.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 110.906 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.7 m -76.34 136.3 25.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.142 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.86 HD11 HG21 ' A' ' 50' ' ' THR . 27.9 pt -133.19 147.94 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.4 p -94.44 179.0 5.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -50.66 -54.24 24.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.568 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.2 mm? -52.62 -44.73 66.22 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.466 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 61.4 m -63.62 -54.72 31.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -50.81 -46.08 59.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 54.0 mtt85 -82.58 17.05 1.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.2 t -106.56 137.18 45.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 85.3 mt-30 -47.32 -19.96 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.922 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -66.23 -45.7 79.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.566 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 98.2 m-70 -117.92 14.79 14.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -62.68 120.88 12.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 97.69 -25.71 26.23 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.498 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.517 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.9 m170 -62.81 133.52 54.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.858 0.361 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 54.0 m80 -74.73 117.82 16.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.822 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.86 HG21 HD11 ' A' ' 35' ' ' ILE . 38.7 p -114.07 153.47 29.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 2.2 m-85 -139.91 148.51 55.45 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.695 0.76 . . . . 0.0 110.894 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 86.52 0.57 Allowed 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.704 2.27 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.3 t -64.64 -37.45 87.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.129 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 95.3 p -86.73 -49.23 7.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -58.55 -172.14 0.36 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.468 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.13 67.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.346 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 m -93.32 -52.63 4.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.8 p -76.45 150.34 36.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.511 -179.964 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.4 t -78.43 -58.54 3.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.947 0.403 . . . . 0.0 110.892 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.2 p -146.98 144.8 29.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.865 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.2 177.51 17.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 t -82.06 150.73 27.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.905 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 p -81.06 -43.3 19.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.841 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 178.29 153.22 11.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 91.0 p -107.08 125.59 32.16 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.645 0.736 . . . . 0.0 110.852 -179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -14.86 36.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.63 2.22 . . . . 0.0 112.407 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -111.61 16.39 20.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.856 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -126.99 109.86 1.14 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.535 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -52.81 110.45 0.52 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.871 0.367 . . . . 0.0 110.943 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -99.95 107.5 19.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.434 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.2 p -142.36 102.21 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.08 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.7 m-20 56.85 47.91 17.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.501 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 1.8 m80 -80.11 127.76 32.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' GLY . 20.5 t -56.32 124.45 18.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.15 -1.54 17.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.16 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.1 ttt180 -98.74 -44.19 6.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 24.4 m80 -117.83 -34.42 4.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 105.97 -13.33 45.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.533 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -63.52 145.04 56.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.904 0.383 . . . . 0.0 110.904 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.501 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.4 mtpm? -61.81 135.56 57.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.405 HD12 ' O ' ' A' ' 15' ' ' ASP . 8.7 mt -90.18 105.26 17.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.951 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 40.3 mt -117.61 -6.35 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.931 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.6 mt -106.3 156.12 18.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -128.83 114.5 16.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.476 ' HA ' HG22 ' A' ' 50' ' ' THR . 1.8 t -76.36 135.09 39.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -90.8 -39.82 12.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -59.62 -41.47 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -101.72 -21.72 14.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.71 26.08 73.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.05 144.39 51.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.831 0.348 . . . . 0.0 110.872 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.426 ' H ' HG22 ' A' ' 34' ' ' VAL . 1.2 m -67.27 131.88 32.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.136 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.865 HD11 HG21 ' A' ' 50' ' ' THR . 37.3 pt -128.33 153.18 37.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.149 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.3 p -97.64 174.86 6.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -47.68 -56.27 7.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.8 mm? -49.44 -49.21 46.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.2 m -61.4 -59.35 5.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.458 ' CA ' HD12 ' A' ' 35' ' ' ILE . 50.1 tt0 -48.22 -42.39 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 10.7 ptm180 -80.09 -13.83 58.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 17.0 t -76.61 134.4 39.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -45.89 -20.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.65 -45.6 71.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.577 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 78.2 m-70 -115.82 17.78 15.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' C ' ' HD3' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -71.94 141.19 49.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.897 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.09 -24.19 4.83 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.515 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.576 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.7 m170 -63.07 141.06 58.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.818 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -81.03 116.73 21.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.865 HG21 HD11 ' A' ' 35' ' ' ILE . 71.5 p -119.59 151.03 39.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.154 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.445 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 4.3 m-85 -133.93 147.78 65.54 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.654 0.74 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.4 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.68 79.82 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.709 2.272 . . . . 0.0 112.341 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.0 t -61.7 -40.19 94.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.157 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 m -129.76 176.29 8.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 97.79 95.56 1.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -41.82 3.93 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 50.0 p -97.25 157.13 16.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.831 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 93.4 p -137.81 176.99 8.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.861 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.469 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -87.8 -48.49 7.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.847 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -145.97 143.73 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -118.74 172.08 14.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 m -63.17 -57.52 10.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.7 p -116.51 158.18 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.37 -119.87 1.66 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.564 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 24.9 t 64.75 46.96 0.61 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.625 0.726 . . . . 0.0 110.836 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.9 Cg_endo -69.73 -9.07 25.21 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.418 ' CD ' ' O ' ' A' ' 10' ' ' GLU . 1.8 tm-20 -92.17 17.59 9.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 162.64 137.81 2.27 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.558 ' O ' HG12 ' A' ' 14' ' ' VAL . 26.0 mt-30 -105.48 128.54 53.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.913 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.551 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 11.3 ptpt -54.52 104.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.913 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG12 ' O ' ' A' ' 12' ' ' GLN . 2.3 p -138.05 102.81 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.142 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 57.64 47.83 15.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.589 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.2 m80 -75.37 130.28 38.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.8 t -56.37 125.79 23.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.854 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.62 -2.36 25.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.544 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 62.3 ttt180 -98.88 -43.83 6.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.544 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 31.2 m80 -117.97 -34.02 4.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.555 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 107.5 -16.99 37.21 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.528 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -61.52 141.59 57.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.875 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 28.3 mtpt -60.31 137.43 58.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.941 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.6 mt -89.9 105.58 17.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.1 mt -116.26 -4.39 11.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.6 mt -108.04 162.19 14.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -135.11 107.54 7.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.4 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 2.0 t -69.48 134.56 49.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -91.39 -38.15 12.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -60.57 -35.97 77.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -108.3 -23.29 11.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.4 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 71.3 34.83 63.87 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.495 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.567 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -137.31 141.67 41.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.341 . . . . 0.0 110.908 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.439 HG22 ' H ' ' A' ' 34' ' ' VAL . 2.0 m -67.07 129.49 31.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.155 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.562 HG23 ' HD3' ' A' ' 33' ' ' LYS . 50.4 pt -131.4 159.03 43.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.188 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -97.97 179.46 4.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.7 m95 -54.74 -53.51 54.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.594 HD13 ' HE ' ' A' ' 41' ' ' ARG . 3.1 mm? -52.17 -41.24 62.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.415 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.2 m -67.13 -60.05 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -48.34 -42.55 31.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.594 ' HE ' HD13 ' A' ' 38' ' ' LEU . 15.7 ptt85 -75.56 -17.34 60.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 t -70.78 138.79 50.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -49.76 -19.18 0.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tp10 -70.66 -41.22 72.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.567 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 86.5 m-70 -117.95 17.99 14.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -65.72 141.64 58.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.56 19.97 65.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.519 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.2 m170 -98.16 134.71 40.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.841 0.353 . . . . 0.0 110.818 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -66.98 120.49 13.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.84 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 69.7 p -127.13 146.3 50.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -132.4 144.76 54.39 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.599 0.714 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 79.93 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.367 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 6.9 t -61.68 -36.77 81.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.0 m -92.68 -41.09 10.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.863 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -62.05 137.67 45.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -177.78 2.04 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.686 2.258 . . . . 0.0 112.326 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.1 t -107.97 145.3 34.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.865 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.6 p -98.61 177.41 5.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.471 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m -121.39 139.2 53.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.891 0.376 . . . . 0.0 110.898 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.0 m -143.13 137.5 29.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.05 61.25 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.456 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.9 p -106.33 148.32 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.9 m -73.4 -47.75 39.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.31 167.49 37.6 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.6 p -61.57 152.8 73.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.7 0.762 . . . . 0.0 110.824 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -9.6 26.49 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.672 2.248 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -68.87 175.52 3.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -142.73 -40.21 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.426 ' HG3' ' NZ ' ' A' ' 23' ' ' LYS . 23.4 pt20 -80.76 115.43 20.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 0.0 110.901 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -91.93 103.44 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.455 ' O ' HG13 ' A' ' 14' ' ' VAL . 2.7 p -132.78 105.14 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.16 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 54.63 47.53 22.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.597 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 5.7 m80 -77.68 127.52 32.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.812 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 33.1 t -57.92 127.69 33.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.861 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.6 -0.78 27.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.127 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 21.2 ttt85 -101.12 -41.12 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.495 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 39.1 m80 -118.05 -35.17 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 105.82 -13.93 45.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.593 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -66.67 145.12 55.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.961 0.41 . . . . 0.0 110.832 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 12.2 mtpp -64.21 137.33 57.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.0 mt -90.76 103.26 15.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.936 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 50.8 mt -117.12 -2.29 11.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.43 ' O ' HG12 ' A' ' 34' ' ' VAL . 89.0 mt -108.01 166.33 10.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -139.3 109.79 6.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 t -69.77 137.85 52.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.48 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.7 OUTLIER -92.49 -30.99 15.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.889 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.37 -38.39 74.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.894 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -104.34 -19.19 14.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 65.61 32.7 84.03 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.61 139.74 44.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 0.0 110.925 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.3 m -60.73 131.83 25.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.104 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.712 HD11 HG21 ' A' ' 50' ' ' THR . 49.2 pt -132.14 154.29 39.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.151 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.1 p -95.79 178.92 5.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.851 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -53.46 -54.47 36.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.593 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.5 mm? -53.22 -37.88 62.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 26.2 m -70.07 -59.65 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.857 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' C ' ' CD ' ' A' ' 40' ' ' GLU . 4.5 tm-20 -51.08 -37.96 48.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.418 ' C ' ' HD2' ' A' ' 41' ' ' ARG . 0.5 OUTLIER -86.16 -16.94 36.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.412 ' HB2' ' O ' ' A' ' 39' ' ' CYS . 1.1 m -67.64 149.7 49.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.843 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.43 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 24.0 tt0 -59.71 -9.18 2.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -79.18 -42.77 25.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.532 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 91.2 m-70 -111.73 17.74 19.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 22.6 ttt180 -60.99 134.31 56.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.4 17.45 77.7 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.532 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 21.4 m170 -100.02 137.59 38.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.48 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 19.0 m80 -77.9 122.96 26.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.712 HG21 HD11 ' A' ' 35' ' ' ILE . 19.1 p -118.19 140.63 49.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.125 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -120.95 143.38 36.68 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.634 0.731 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 80.02 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.64 2.227 . . . . 0.0 112.35 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.4 t -66.36 -37.11 84.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 26.0 t -147.49 108.3 4.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.905 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -170.88 94.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.498 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 96.93 0.61 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 55.9 m -115.89 118.15 32.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 38.0 t -80.06 10.27 4.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.861 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.13 -0.816 . . . . 0.0 112.468 -179.977 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -122.45 152.73 39.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.875 0.369 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 t -52.04 105.02 0.1 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.85 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -50.67 134.85 29.99 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 t -109.63 114.57 28.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -50.98 -51.11 56.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.42 -39.52 3.12 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.3 m -91.61 157.04 42.53 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.648 0.737 . . . . 0.0 110.854 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -12.17 32.37 Favored 'Trans proline' 0 C--N 1.34 0.123 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -121.64 154.41 36.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.15 137.0 18.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.503 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.44 ' O ' HG12 ' A' ' 14' ' ' VAL . 88.4 mm-40 -92.89 112.81 24.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.36 . . . . 0.0 110.878 -179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.57 105.75 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 HG13 ' CD ' ' A' ' 23' ' ' LYS . 2.5 p -144.64 102.04 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 52.01 46.39 26.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.606 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 2.6 m80 -83.39 124.8 31.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 35.0 t -53.44 129.07 31.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.46 2.83 23.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.11 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.458 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 46.1 ttt85 -108.94 -37.8 5.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CE1' ' HD3' ' A' ' 19' ' ' ARG . 49.4 m80 -117.77 -33.24 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.73 -11.44 61.01 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.417 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.4 OUTLIER -67.61 149.87 49.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.944 0.402 . . . . 0.0 110.889 -179.877 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.606 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 20.1 mtmm -68.64 136.92 53.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.667 HD23 ' HB3' ' A' ' 36' ' ' CYS . 13.4 mt -94.69 105.83 17.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 43.1 mt -118.04 -0.8 11.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.4 mt -111.38 141.0 45.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.911 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -106.45 116.13 31.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.15 125.69 30.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -86.47 -32.01 21.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.878 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -64.66 -30.26 71.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -116.16 -25.61 7.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.839 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 79.82 26.76 55.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.978 ' HE2' HG22 ' A' ' 35' ' ' ILE . 2.4 ptmt -132.0 151.66 51.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.811 0.338 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HB ' ' HB3' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -75.66 115.23 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.102 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.978 HG22 ' HE2' ' A' ' 33' ' ' LYS . 27.8 pt -105.97 165.82 3.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.667 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.5 p -107.55 178.69 4.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.6 m95 -50.18 -63.01 1.25 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.939 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.417 HD23 ' HG2' ' A' ' 22' ' ' GLU . 2.8 mm? -47.55 -43.98 25.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.904 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.2 m -61.59 -59.06 5.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.496 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 2.3 tm-20 -51.41 -42.16 61.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 7.1 ptm180 -83.27 -9.04 59.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.7 m -81.51 147.58 29.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 8.3 mp0 -56.42 -18.19 10.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -70.6 -44.57 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.491 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.0 m-70 -117.19 17.96 14.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 -62.36 140.27 58.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.54 27.08 63.07 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.491 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 22.1 m170 -99.34 136.29 39.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.786 0.327 . . . . 0.0 110.879 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -62.26 121.61 13.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.558 HG21 HD11 ' A' ' 35' ' ' ILE . 10.4 p -133.66 145.69 50.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.178 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -137.76 148.85 62.55 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.666 0.746 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 80.64 0.87 Allowed 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 11.7 t -73.39 -34.02 65.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.159 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 t -92.94 -44.73 8.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -38.46 109.84 0.11 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 164.51 34.3 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.658 2.239 . . . . 0.0 112.35 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 76.2 p -86.26 -45.73 11.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 74.7 m -39.18 -49.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.074 -0.848 . . . . 0.0 112.505 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.8 t -138.33 154.39 48.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.6 t -81.67 117.07 21.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.56 -71.99 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.424 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.8 t -143.16 134.73 26.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.0 m -125.48 126.02 44.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.821 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.14 33.37 1.92 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.483 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.681 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 2.2 t -65.76 -49.47 59.62 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.706 0.765 . . . . 0.0 110.908 -179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 8' ' ' SER . 53.3 Cg_endo -69.77 -22.54 31.9 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -104.87 158.29 16.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -123.97 -82.56 0.55 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.556 ' O ' HG12 ' A' ' 14' ' ' VAL . 10.4 mt-30 -126.15 124.05 39.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.4 pttt -52.77 106.29 0.15 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 12' ' ' GLN . 2.3 p -139.23 104.12 2.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.175 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.429 ' O ' HD12 ' A' ' 24' ' ' LEU . 1.0 OUTLIER 53.02 47.81 23.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.655 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.9 m80 -82.06 132.09 35.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 32.9 t -58.93 128.81 39.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.38 0.32 26.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.07 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 26.6 ttt180 -102.64 -41.47 6.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -117.88 -35.21 3.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.455 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 104.42 -12.7 51.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.459 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.2 OUTLIER -65.3 142.31 58.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 110.863 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.655 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 55.0 mtpt -59.9 135.03 57.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 34' ' ' VAL . 9.0 mt -88.39 103.06 15.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 45.9 mt -117.96 12.57 13.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.3 mt -127.14 143.81 51.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.918 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.6 t80 -118.78 108.25 14.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.7 t -71.41 136.77 47.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.411 ' HG3' ' CE1' ' A' ' 51' ' ' PHE . 8.2 mm-40 -88.67 -43.6 11.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -55.2 -38.32 68.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.861 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -100.31 -33.35 10.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.821 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 82.41 28.39 40.09 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.528 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.16 175.14 9.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.502 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -96.53 119.39 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.676 HD11 HG21 ' A' ' 50' ' ' THR . 29.6 pt -113.37 166.87 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.0 p -113.04 174.54 5.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.4 m95 -44.86 -64.03 0.79 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.441 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.1 mm? -45.36 -48.29 13.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.2 m -58.79 -51.44 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.861 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -57.35 -41.54 80.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -86.3 16.36 4.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 44' ' ' GLU . 1.7 m -114.7 135.52 54.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.869 -179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -39.26 -29.49 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 42' ' ' SER . 33.1 tt0 -54.89 -49.93 70.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.1 m-70 -118.03 14.73 14.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.841 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -61.78 127.0 29.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 77.27 18.26 78.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.5 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.1 m170 -97.42 138.09 35.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.791 0.329 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -70.33 113.3 7.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.676 HG21 HD11 ' A' ' 35' ' ' ILE . 66.9 p -117.87 156.64 28.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.132 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 50' ' ' THR . 2.9 m-85 -148.03 144.52 19.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.629 0.728 . . . . 0.0 110.915 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 89.17 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.709 2.273 . . . . 0.0 112.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.3 t -72.22 -31.69 66.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 55' ' ' GLY . 43.5 p -117.93 -37.65 3.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.838 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.33 145.78 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.513 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 158.37 57.18 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.678 2.252 . . . . 0.0 112.358 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.0 p -81.87 -50.59 9.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 94.0 p -98.06 115.14 27.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.534 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.532 -0.227 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 m -95.11 145.92 24.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.818 0.342 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.2 t 66.88 42.26 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.79 -138.59 0.73 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.515 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -167.66 156.15 9.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 0.0 110.85 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -141.84 125.31 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.858 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.9 40.42 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.466 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.551 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 11.5 m 62.14 47.96 1.13 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.6 0.714 . . . . 0.0 110.812 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.551 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.8 Cg_endo -69.74 3.09 2.96 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.671 2.248 . . . . 0.0 112.349 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -112.95 123.42 50.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -149.68 -140.88 3.32 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.448 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -113.62 114.83 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.886 0.374 . . . . 0.0 110.92 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 mtmm -62.02 102.34 0.28 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.578 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p -121.58 102.03 11.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.14 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 42.4 m-20 54.49 47.98 21.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.578 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 10.6 m-70 -85.59 134.86 33.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.842 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.463 ' O ' ' N ' ' A' ' 21' ' ' GLY . 18.4 t -58.14 120.93 9.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.54 -9.37 25.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.095 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HD3' ' CE1' ' A' ' 20' ' ' HIS . 36.1 ttt85 -92.74 -54.62 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.84 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.561 ' HB3' HD12 ' A' ' 38' ' ' LEU . 49.6 m80 -99.41 -40.5 7.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 100.89 9.08 46.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.89 150.17 25.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.926 0.394 . . . . 0.0 110.887 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 34.5 mtpt -62.41 123.64 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.9 mt -83.11 102.63 11.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.959 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 41.4 mt -116.92 -0.04 12.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.676 HD13 ' OE1' ' A' ' 40' ' ' GLU . 18.9 mt -111.44 163.57 13.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.468 ' HB2' HG22 ' A' ' 53' ' ' THR . 33.2 t80 -137.63 108.03 6.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.555 ' HA ' HG22 ' A' ' 50' ' ' THR . 2.2 t -69.37 129.3 39.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -85.2 -42.06 15.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -56.84 -41.18 77.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -101.79 -21.28 14.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 69.81 30.52 70.38 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.467 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.34 148.2 51.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.867 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.3 135.92 27.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.645 HD11 HG21 ' A' ' 50' ' ' THR . 29.9 pt -135.6 156.54 38.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.078 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 23.4 p -99.56 174.01 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.0 m95 -48.06 -64.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.561 HD12 ' HB3' ' A' ' 20' ' ' HIS . 8.2 mt -45.41 -40.36 8.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.921 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.1 m -65.94 -51.71 56.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.676 ' OE1' HD13 ' A' ' 26' ' ' LEU . 33.1 tt0 -55.7 -43.34 76.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.404 ' HG2' ' O ' ' A' ' 38' ' ' LEU . 20.2 ptt180 -76.59 -10.78 59.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.3 t -77.2 136.15 38.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.822 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -49.75 -18.31 0.46 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.0 mm-40 -69.98 -43.39 71.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 86.4 m-70 -117.38 17.9 14.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.831 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 38.8 ptt85 -67.06 140.94 57.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.89 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.41 -26.11 3.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.465 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.9 m170 -63.06 137.56 58.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 110.891 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -86.29 128.84 34.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.645 HG21 HD11 ' A' ' 35' ' ' ILE . 31.0 p -125.34 157.09 37.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 70.0 m-85 -124.3 146.75 52.81 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.423 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.74 91.06 0.51 Allowed 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.704 2.27 . . . . 0.0 112.347 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' HB2' ' A' ' 27' ' ' PHE . 1.7 p -41.37 -56.84 2.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 55' ' ' GLY . 1.4 t -116.92 -16.6 10.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.847 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.424 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.57 153.15 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.468 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 11.76 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.722 2.281 . . . . 0.0 112.363 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 55' ' ' GLY . 20.0 m 66.54 42.9 2.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 50.0 m 60.48 39.47 18.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.457 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 m -96.14 160.44 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -54.46 141.6 30.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.901 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.16 179.28 20.78 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -121.7 166.79 13.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.351 . . . . 0.0 110.872 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.4 m -106.03 112.88 26.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.6 93.11 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 19.7 m -95.37 106.67 27.78 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.689 0.756 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.74 -23.42 30.89 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.725 2.283 . . . . 0.0 112.349 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLY . 31.9 mt-10 -78.3 118.48 20.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLU . . . -37.32 139.06 0.47 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.545 ' O ' HG12 ' A' ' 14' ' ' VAL . 14.3 mm100 -123.31 144.12 49.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.879 0.371 . . . . 0.0 110.892 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -57.37 106.44 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 12' ' ' GLN . 2.2 p -140.53 102.33 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.111 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 54.03 43.01 31.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.631 ' CE1' ' CG ' ' A' ' 23' ' ' LYS . 3.0 m80 -77.67 131.23 37.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 38.6 t -59.39 127.16 30.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.05 1.6 15.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 57.2 ttt85 -105.94 -41.36 5.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.577 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 36.3 m80 -118.03 -31.65 4.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.515 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -16.03 56.78 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.433 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.486 ' HG2' HD23 ' A' ' 38' ' ' LEU . 8.2 mm-40 -61.4 143.69 55.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.869 0.366 . . . . 0.0 110.906 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.631 ' CG ' ' CE1' ' A' ' 16' ' ' HIS . 5.8 mtpm? -64.05 129.98 42.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.0 102.75 12.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.431 HD12 ' CH2' ' A' ' 37' ' ' TRP . 16.6 mt -118.02 2.41 12.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.418 HD11 ' CZ3' ' A' ' 37' ' ' TRP . 12.5 mt -117.03 151.6 36.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -123.85 112.5 17.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.7 t -74.14 133.65 42.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 6.6 mm100 -88.43 -39.14 14.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.941 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.72 -38.21 81.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -105.53 -20.42 13.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 68.44 29.92 73.15 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.481 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.551 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -132.75 149.86 52.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.847 0.356 . . . . 0.0 110.922 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.434 HG22 ' H ' ' A' ' 34' ' ' VAL . 0.7 OUTLIER -72.8 130.21 35.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.551 HG23 ' HD3' ' A' ' 33' ' ' LYS . 44.1 pt -132.57 153.29 37.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.7 p -98.72 178.5 4.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.431 ' CH2' HD12 ' A' ' 25' ' ' LEU . 0.6 OUTLIER -51.16 -54.08 28.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.577 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -51.27 -33.78 29.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.915 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.497 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 36.0 m -78.44 -57.44 3.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -50.77 -37.67 43.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' C ' ' HD3' ' A' ' 41' ' ' ARG . 0.7 OUTLIER -80.61 -12.8 59.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.854 -179.897 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.3 t -72.03 142.53 49.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.502 ' CG ' ' NH1' ' A' ' 46' ' ' ARG . 18.0 tm0? -56.39 -12.98 1.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -73.39 -40.46 64.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.542 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 94.7 m-70 -107.79 17.97 21.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.502 ' NH1' ' CG ' ' A' ' 43' ' ' GLN . 8.2 ttm180 -59.04 130.95 49.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 72.44 19.74 79.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.542 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 20.3 m170 -100.36 128.25 46.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.806 0.336 . . . . 0.0 110.838 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.7 m80 -76.73 127.86 33.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 52.5 p -124.92 157.95 34.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 8.0 m-85 -140.7 147.03 47.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.652 0.739 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 80.51 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.724 2.283 . . . . 0.0 112.342 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 7.7 t -63.16 -40.56 97.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.152 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 55' ' ' GLY . 98.0 p -96.61 -43.11 7.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.845 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.04 126.25 0.64 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.524 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 161.54 45.54 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.671 2.248 . . . . 0.0 112.336 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.3 t -95.62 -43.2 8.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.828 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 36.0 t -125.34 111.39 15.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.514 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 m -119.09 128.48 54.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.85 0.357 . . . . 0.0 110.895 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 t -102.77 154.12 19.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.92 -72.86 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -132.52 128.17 36.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.881 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.2 p -39.85 -44.62 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.834 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.15 -107.86 2.48 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.1 m -156.53 136.67 8.71 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.65 0.738 . . . . 0.0 110.878 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -51.66 0.38 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.701 2.267 . . . . 0.0 112.398 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 51.97 41.93 29.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 174.63 -88.25 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -79.1 104.96 10.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.9 0.381 . . . . 0.0 110.919 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 10.3 pttp -133.7 108.12 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.448 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.3 p -142.34 103.27 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.461 ' O ' HD12 ' A' ' 24' ' ' LEU . 8.4 t0 56.89 47.86 17.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.855 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 2.6 m80 -75.66 128.63 35.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.817 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.9 t -60.57 125.29 23.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.91 -1.27 24.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.535 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 14.5 ttt85 -99.75 -41.1 7.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.605 ' HB3' HD12 ' A' ' 38' ' ' LEU . 44.5 m80 -117.91 -36.45 3.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.44 53.8 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.467 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.12 146.01 33.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.918 0.389 . . . . 0.0 110.844 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.556 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 27.1 mtpt -61.26 122.2 14.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.902 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 15' ' ' ASP . 33.5 mt -79.1 102.29 8.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 60.5 mt -117.28 0.17 12.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 40.4 mt -112.07 162.55 15.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' HB2' HG22 ' A' ' 53' ' ' THR . 33.3 t80 -136.2 106.82 6.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' O ' ' N ' ' A' ' 32' ' ' GLY . 2.3 t -72.23 126.66 30.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -79.09 -59.41 2.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -39.83 -39.59 0.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -103.89 -23.55 13.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' CYS . . . 69.34 30.75 71.35 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.498 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -130.3 153.01 49.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.827 0.346 . . . . 0.0 110.893 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.7 m -77.36 133.34 30.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 18.5 pt -134.13 156.74 41.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 19.2 p -96.47 178.97 5.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 2.5 m95 -52.98 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.605 HD12 ' HB3' ' A' ' 20' ' ' HIS . 9.7 mt -46.1 -43.65 14.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.2 m -59.78 -54.12 49.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -56.61 -42.99 79.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 19.5 mtm180 -71.8 -4.02 25.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -91.12 133.43 35.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.808 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.411 ' HA ' ' CG ' ' A' ' 46' ' ' ARG . 1.6 tm0? -48.22 -18.69 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.586 ' HG3' ' CD2' ' A' ' 45' ' ' HIS . 2.3 pt-20 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.9 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.586 ' CD2' ' HG3' ' A' ' 44' ' ' GLU . 76.3 m-70 -117.42 17.86 14.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.411 ' CG ' ' HA ' ' A' ' 43' ' ' GLN . 16.1 ptt85 -70.68 142.52 51.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.877 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.1 -25.54 3.58 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.581 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.34 137.76 58.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.824 0.345 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -77.13 122.51 25.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.6 p -115.76 158.59 22.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -137.97 145.88 49.89 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.634 0.73 . . . . 0.0 110.924 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 105.4 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.665 2.243 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.502 HG22 ' HB2' ' A' ' 27' ' ' PHE . 1.2 p -58.6 -54.57 45.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.173 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 55' ' ' GLY . 19.3 m -117.31 -18.27 9.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.19 134.58 0.34 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.432 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 143.43 50.54 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.622 2.215 . . . . 0.0 112.367 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.4 m -53.7 113.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 17.6 m -117.13 171.48 7.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.456 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.1 p -152.61 166.18 32.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.836 0.351 . . . . 0.0 110.896 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 t -43.63 -47.18 7.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.74 -142.34 15.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.0 m -68.76 146.42 52.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.85 0.357 . . . . 0.0 110.881 -179.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.4 t -75.88 154.81 35.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.71 168.93 24.57 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.496 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.636 ' N ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -65.81 -52.1 44.13 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.671 0.748 . . . . 0.0 110.838 -179.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 8' ' ' SER . 53.4 Cg_endo -69.74 -26.87 27.22 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.743 2.295 . . . . 0.0 112.33 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -125.74 122.68 36.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 124.5 93.69 1.02 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.2 mm-40 -58.62 102.11 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.873 0.368 . . . . 0.0 110.915 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 14.6 pttp -78.2 107.48 10.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.6 p -138.43 101.99 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 52.43 47.83 23.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.6 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.9 m80 -80.21 126.1 30.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 21' ' ' GLY . 15.1 t -59.09 118.42 5.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.29 -2.54 8.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 54.0 ttt180 -97.97 -48.02 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 28.9 m80 -113.6 -32.23 6.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 103.61 -14.03 53.79 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.79 144.92 56.66 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.906 0.384 . . . . 0.0 110.87 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.6 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 33.0 mtpt -68.68 120.92 15.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.846 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.695 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.2 mt -71.99 102.04 2.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.9 mt -117.91 -5.63 11.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.166 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.5 mm? -105.35 124.19 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -94.52 114.42 26.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.421 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 3.1 t -75.56 138.43 41.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -91.4 -40.88 11.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' OE1' ' CE1' ' A' ' 48' ' ' HIS . 2.7 tt0 -58.33 -41.77 85.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -101.16 -35.36 9.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.421 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 88.4 21.26 45.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.495 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.963 ' HE2' HG22 ' A' ' 35' ' ' ILE . 6.4 ptmt -122.91 153.2 40.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 0.0 110.899 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.695 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.41 107.38 7.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 179.861 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.963 HG22 ' HE2' ' A' ' 33' ' ' LYS . 21.9 pt -101.12 166.33 2.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.167 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.554 ' HB3' HD23 ' A' ' 24' ' ' LEU . 11.6 p -112.1 162.2 15.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 1.166 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 4.8 m95 -37.1 -64.27 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.589 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 2.8 mm? -45.08 -36.41 3.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.429 ' HB2' ' O ' ' A' ' 36' ' ' CYS . 65.9 m -75.49 -54.92 6.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -52.79 -38.24 60.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -82.69 -13.93 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 46.1 t -71.35 147.68 47.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.405 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 4.8 tt0 -61.11 -8.45 3.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -79.2 -40.74 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 92.8 m-70 -108.5 17.98 21.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.913 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.405 ' HB2' ' HA ' ' A' ' 43' ' ' GLN . 30.3 ttt-85 -60.78 137.94 58.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.923 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 80.59 -23.89 3.97 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.464 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.599 ' CE1' ' OE1' ' A' ' 30' ' ' GLU . 11.6 m170 -64.36 125.77 25.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.837 0.351 . . . . 0.0 110.828 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -77.7 123.75 27.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.517 HG21 HD11 ' A' ' 35' ' ' ILE . 21.6 p -110.65 149.91 29.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.9 m-85 -132.69 144.6 53.6 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.648 0.737 . . . . 0.0 110.896 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 80.13 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.654 2.236 . . . . 0.0 112.339 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.7 t -69.19 -30.3 68.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 88.9 p -148.23 177.41 9.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.83 141.61 3.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.52 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -21.43 33.67 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.672 2.248 . . . . 0.0 112.334 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 13.4 t -150.05 147.98 28.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 59.3 m -73.25 129.47 38.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.813 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.15 -0.805 . . . . 0.0 112.497 -179.968 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -90.33 171.56 9.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.926 0.393 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.3 t -131.98 137.13 47.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.55 55.07 0.36 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.1 p -71.67 -57.37 4.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.369 . . . . 0.0 110.846 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.8 t -96.25 161.55 13.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.834 -179.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.84 148.25 4.86 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.468 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 67.1 m -76.55 144.31 73.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -17.45 37.47 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.359 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -117.92 109.24 16.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -138.08 -91.38 0.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.518 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.447 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 0.0 OUTLIER -85.98 110.22 19.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.877 0.37 . . . . 0.0 110.935 -179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.587 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 6.7 ptpp? -114.95 105.86 13.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.49 ' H ' ' CE1' ' A' ' 16' ' ' HIS . 2.0 p -122.55 101.98 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.12 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 56.93 47.98 16.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.598 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 31.0 m80 -82.68 126.36 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 22.1 t -51.96 134.01 32.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.7 1.44 52.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -108.84 -34.47 6.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.526 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 62.4 m80 -117.74 -34.72 4.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 94.17 14.32 51.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.472 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -93.15 145.99 24.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.874 -179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.598 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 34.9 mtpt -65.13 120.15 12.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.651 HD22 ' O ' ' A' ' 34' ' ' VAL . 8.3 mt -76.75 102.32 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 56.0 mt -118.04 -2.37 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.413 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 36.6 mt -108.79 139.03 44.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.914 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HB2' HG22 ' A' ' 53' ' ' THR . 36.1 t80 -110.6 114.18 27.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.831 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.9 t -74.48 134.61 42.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.497 ' CG ' ' HB2' ' A' ' 49' ' ' HIS . 0.5 OUTLIER -88.9 -30.54 18.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.966 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.52 -39.34 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -103.62 -35.97 8.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.97 36.9 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.536 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.871 ' HE3' HG22 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -122.91 160.95 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.952 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.651 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -83.5 109.44 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.871 HG22 ' HE3' ' A' ' 33' ' ' LYS . 10.1 pt -103.3 166.03 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.13 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.56 ' HB3' HD23 ' A' ' 24' ' ' LEU . 19.1 p -112.1 174.45 5.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.1 m95 -44.37 -62.73 1.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.526 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.4 mm? -46.75 -48.24 20.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 78.0 m -59.85 -46.75 88.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -58.5 -41.56 85.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 51.1 mtp180 -93.17 17.98 10.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.415 ' O ' ' N ' ' A' ' 46' ' ' ARG . 1.7 m -108.34 142.64 38.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.407 ' HA ' ' HB3' ' A' ' 46' ' ' ARG . 52.9 tt0 -48.8 -24.72 1.52 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.935 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.76 -49.0 78.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.885 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 95.0 m-70 -117.39 18.03 14.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' A' ' 46' ' ' ARG . 1.0 OUTLIER -60.05 138.83 57.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 -179.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.2 19.05 69.9 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.513 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.583 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 24.6 m170 -98.17 144.34 27.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.821 0.343 . . . . 0.0 110.856 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.497 ' HB2' ' CG ' ' A' ' 29' ' ' GLN . 5.5 m80 -81.84 121.31 26.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.584 HG21 HD11 ' A' ' 35' ' ' ILE . 28.8 p -117.49 148.54 41.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -130.39 142.09 44.21 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.721 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 122.78 9.45 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.654 2.236 . . . . 0.0 112.367 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.425 HG22 ' HB2' ' A' ' 27' ' ' PHE . 1.2 p -88.0 -50.16 6.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 55' ' ' GLY . 68.6 m -117.95 -17.69 9.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -35.36 109.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.437 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 -50.17 0.48 Allowed 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.718 2.279 . . . . 0.0 112.309 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 19.2 p -92.83 138.4 31.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.8 m -160.52 161.2 32.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.458 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -164.19 177.33 8.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.887 0.375 . . . . 0.0 110.842 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.9 t -132.6 125.59 30.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.85 166.08 32.32 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 t -120.87 146.5 46.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.906 0.384 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.5 m -132.57 115.97 16.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.893 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.49 -44.58 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.454 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.549 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 32.6 m 62.04 47.68 1.11 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.684 0.754 . . . . 0.0 110.851 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.549 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.6 Cg_endo -69.83 -18.86 36.42 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.621 2.214 . . . . 0.0 112.311 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -68.46 175.94 3.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -151.43 -143.47 3.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -124.67 106.55 10.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.57 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 15.6 pttp -136.05 106.41 6.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 p -139.45 103.77 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 58.68 47.95 12.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.58 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 4.7 m80 -76.96 128.04 33.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' GLY . 33.9 t -56.74 125.87 24.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.32 1.26 14.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -105.89 -41.18 5.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.84 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.583 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 52.2 m80 -117.51 -31.09 5.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.501 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 101.56 -17.8 54.47 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -62.99 142.22 58.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.877 0.37 . . . . 0.0 110.928 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.58 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 4.9 mtpm? -62.41 137.39 58.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 9.8 mt -89.77 103.38 16.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' PRO . 59.9 mt -117.92 -5.0 11.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.407 ' O ' HG12 ' A' ' 34' ' ' VAL . 12.9 mt -106.83 162.49 13.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 51' ' ' PHE . 33.7 t80 -132.8 111.12 10.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.905 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.422 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 15.5 t -71.77 139.04 48.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -92.38 -40.01 11.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.96 -38.29 82.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -104.94 -24.36 12.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.841 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.422 ' HA2' ' O ' ' A' ' 28' ' ' CYS . . . 72.17 29.27 66.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.541 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.41 148.17 52.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.353 . . . . 0.0 110.918 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 HG22 ' H ' ' A' ' 34' ' ' VAL . 1.4 m -70.44 128.47 33.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.598 HD11 HG21 ' A' ' 50' ' ' THR . 35.5 pt -129.62 157.44 42.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 28.0 p -95.5 179.63 5.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -52.99 -57.99 8.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.913 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.583 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -47.81 -39.61 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 29.8 m -70.66 -56.6 6.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -48.11 -25.82 1.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.2 ttt85 -100.0 -16.13 18.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.867 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 72.4 p -59.46 147.94 34.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -56.95 -21.83 33.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -73.43 -48.12 36.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.945 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.465 ' HA ' ' ND1' ' A' ' 48' ' ' HIS . 96.0 m-70 -101.01 18.02 20.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -60.83 128.7 37.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.0 -20.31 8.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.465 ' ND1' ' HA ' ' A' ' 45' ' ' HIS . 19.3 m170 -62.25 129.07 39.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.807 0.337 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -82.56 129.8 34.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 35' ' ' ILE . 19.3 p -123.06 157.18 33.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.151 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.407 ' O ' ' N ' ' A' ' 27' ' ' PHE . 48.9 m-85 -129.59 147.29 64.66 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.659 0.742 . . . . 0.0 110.898 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.425 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.81 80.33 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.648 2.232 . . . . 0.0 112.352 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.9 t -65.26 -32.97 74.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.6 m -92.28 -55.7 3.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 143.17 136.32 3.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 116.29 4.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.673 2.249 . . . . 0.0 112.356 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 p -89.85 -61.12 1.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.4 t -97.66 -56.49 2.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.098 -0.835 . . . . 0.0 112.487 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.4 t -110.01 144.11 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.868 0.366 . . . . 0.0 110.856 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -133.55 171.21 14.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.852 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.59 -146.61 6.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 64.4 p -104.98 173.66 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.4 m -139.1 138.71 37.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.49 80.47 1.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -121.42 130.28 24.87 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.666 0.746 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -3.28 11.7 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.713 2.276 . . . . 0.0 112.349 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -119.27 104.27 10.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 146.74 160.72 8.93 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.512 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -99.5 102.09 13.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 16' ' ' HIS . 0.0 OUTLIER -83.53 111.63 19.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.906 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 14' ' ' VAL . 2.8 p -137.48 102.11 2.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.157 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 45.15 33.01 1.02 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.611 ' CG ' ' NZ ' ' A' ' 13' ' ' LYS . 5.3 m80 -75.38 128.02 34.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.498 ' O ' ' N ' ' A' ' 21' ' ' GLY . 49.8 t -56.91 124.62 19.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 2.89 6.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.102 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.9 ttt85 -112.82 -38.07 4.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.581 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 51.2 m80 -117.94 -26.53 6.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.57 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 88.84 -14.18 60.93 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.448 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -62.6 139.69 58.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.941 0.4 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.593 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 16.0 mtmt -60.11 125.37 23.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.5 mt -79.9 102.37 9.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.938 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 22.0 mt -117.68 -0.39 11.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.9 mt -112.0 145.62 39.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -118.65 115.27 24.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.9 t -77.19 136.12 38.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -91.81 -38.86 12.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 56.0 mm-40 -60.04 -38.96 84.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -105.11 -21.48 13.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.61 30.05 66.94 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.76 148.28 51.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.908 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -72.57 132.93 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.624 HD11 HG21 ' A' ' 50' ' ' THR . 41.9 pt -132.02 153.96 39.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.121 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 26.8 p -97.95 176.4 5.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -47.84 -60.43 2.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.581 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.9 mm? -45.33 -42.7 10.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.916 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.461 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 59.1 m -67.79 -58.28 4.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -47.83 -42.29 25.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.861 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.4 ptt180 -77.56 -17.73 57.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.2 t -71.4 134.79 46.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.878 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -48.54 -19.01 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.03 -41.76 73.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 83.9 m-70 -117.99 17.94 14.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptt-85 -70.04 139.05 52.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 81.58 -23.72 4.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.544 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 18.0 m170 -62.9 136.62 57.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.822 0.344 . . . . 0.0 110.841 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.2 t-160 -81.3 119.38 23.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.624 HG21 HD11 ' A' ' 35' ' ' ILE . 48.1 p -119.1 148.97 42.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 7.2 m-85 -126.88 147.89 63.12 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.674 0.75 . . . . 0.0 110.839 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 80.02 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.65 2.233 . . . . 0.0 112.348 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 t -64.33 -36.59 84.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -145.4 114.29 6.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -161.09 148.23 15.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -50.2 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.694 2.263 . . . . 0.0 112.366 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.9 m -111.7 138.67 47.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 5.0 m -78.69 -45.71 20.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.461 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -76.39 140.55 41.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.837 0.351 . . . . 0.0 110.871 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -135.33 160.51 38.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.832 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.48 171.82 16.17 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.522 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 t -69.48 135.41 50.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -92.69 121.69 34.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.827 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.26 121.81 2.05 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.9 m -139.68 152.49 68.58 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.708 0.766 . . . . 0.0 110.844 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 2.97 3.08 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.662 2.241 . . . . 0.0 112.349 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mp0 -120.15 103.33 9.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 152.01 -155.24 26.02 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.505 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -134.22 111.56 10.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 17.3 ptmt -71.76 104.58 3.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.923 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.5 p -135.48 102.21 3.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.178 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 56.59 47.95 17.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.852 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.565 ' CE1' ' HA ' ' A' ' 13' ' ' LYS . 4.2 m80 -72.02 125.5 27.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.857 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.543 ' O ' ' N ' ' A' ' 21' ' ' GLY . 14.9 t -57.45 118.33 5.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.74 -2.81 12.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.086 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.496 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 17.4 ttt180 -98.0 -45.29 6.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.587 ' CE1' ' HB3' ' A' ' 38' ' ' LEU . 31.2 m80 -117.86 -28.74 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 102.03 -15.62 56.47 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.62 142.48 57.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 110.863 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.525 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 8.2 mtpp -66.73 116.28 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.684 HD22 ' O ' ' A' ' 34' ' ' VAL . 6.6 mt -67.76 104.9 1.77 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.8 mt -116.96 -4.18 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.169 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -108.02 126.75 53.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.4 t80 -97.04 109.15 21.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.45 127.84 33.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mm-40 -84.2 -44.18 14.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.467 ' OE1' ' N ' ' A' ' 49' ' ' HIS . 18.3 mp0 -53.14 -36.98 61.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -106.94 -31.67 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 85.22 21.76 53.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.924 ' HE2' HG22 ' A' ' 35' ' ' ILE . 0.3 OUTLIER -124.64 151.5 44.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.771 0.32 . . . . 0.0 110.944 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.684 ' O ' HD22 ' A' ' 24' ' ' LEU . 0.2 OUTLIER -76.73 111.0 12.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.924 HG22 ' HE2' ' A' ' 33' ' ' LYS . 36.3 pt -105.74 169.89 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.121 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.493 ' HB3' HD23 ' A' ' 24' ' ' LEU . 14.1 p -119.16 160.19 22.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 1.169 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 0.6 OUTLIER -37.27 -53.86 1.06 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.587 ' HB3' ' CE1' ' A' ' 20' ' ' HIS . 3.1 mm? -51.51 -37.54 49.72 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' CYS . 87.5 m -79.89 -56.91 3.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -38.45 33.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 41' ' ' ARG . 0.4 OUTLIER -77.88 -21.45 51.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.828 -179.904 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.409 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 1.9 t -72.22 146.63 47.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -53.64 -24.83 15.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 69.7 mt-10 -62.21 -41.98 98.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 89.7 m-70 -117.89 12.86 13.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 32.9 ttt-85 -63.47 133.5 54.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.65 15.47 81.25 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.552 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 29.4 m170 -96.85 135.64 38.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.858 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.467 ' N ' ' OE1' ' A' ' 30' ' ' GLU . 19.4 m80 -63.82 118.88 8.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.677 HG21 HD11 ' A' ' 35' ' ' ILE . 9.2 p -125.74 141.43 52.01 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -140.83 146.37 43.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.707 0.765 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.35 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.706 2.271 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.3 t -63.75 -41.49 98.0 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 91.9 p -98.02 -45.05 6.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.841 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 79.8 164.79 29.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.49 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 125.76 12.52 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.711 2.274 . . . . 0.0 112.311 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 57.3 m -106.08 15.53 26.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.6 m -92.9 -48.96 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.096 -0.836 . . . . 0.0 112.533 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 t -51.45 -50.27 60.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.867 0.365 . . . . 0.0 110.832 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -72.15 166.69 21.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.849 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.51 -172.52 40.43 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -76.37 138.41 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.91 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.9 t -153.2 133.28 13.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -58.16 -60.43 8.98 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 31.8 t -123.23 113.98 29.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.652 0.739 . . . . 0.0 110.826 -179.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -22.55 31.77 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -125.23 106.4 9.84 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -76.93 148.95 35.51 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.489 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -60.3 102.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.877 0.37 . . . . 0.0 110.938 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.53 106.84 2.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.847 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.555 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.6 p -124.05 102.02 10.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.116 179.825 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.426 ' O ' ' CG ' ' A' ' 24' ' ' LEU . 76.4 m-20 55.92 47.98 18.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.847 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.555 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 13.2 m170 -81.76 130.16 34.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.7 t -58.49 120.45 8.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.21 -11.43 60.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.105 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -88.87 -55.3 3.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.588 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 58.9 m80 -97.97 -43.11 7.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 108.79 -3.98 32.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.496 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.726 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -72.96 152.35 41.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.886 0.374 . . . . 0.0 110.927 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 36.5 mtpt -70.88 123.3 21.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.89 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.447 HD23 ' N ' ' A' ' 36' ' ' CYS . 22.1 mt -81.02 104.52 11.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.896 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.484 HD12 ' HH2' ' A' ' 37' ' ' TRP . 30.9 mt -117.68 -7.22 11.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -104.34 157.59 17.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -129.27 110.89 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -72.38 137.0 46.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -92.15 -39.98 11.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -58.82 -41.51 86.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -101.83 -24.1 14.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 73.09 29.28 64.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.484 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.585 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -133.53 143.82 48.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.352 . . . . 0.0 110.893 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.424 HG12 ' O ' ' A' ' 26' ' ' LEU . 1.5 m -67.38 134.37 30.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.716 HD11 HG21 ' A' ' 50' ' ' THR . 37.8 pt -130.97 153.6 39.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.127 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' HD23 ' A' ' 24' ' ' LEU . 25.8 p -94.85 178.25 5.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.484 ' HH2' HD12 ' A' ' 25' ' ' LEU . 1.7 m95 -54.11 -45.82 71.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.726 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.3 mm? -58.22 -46.97 84.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 33.2 m -63.77 -59.88 3.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.529 ' CA ' HD12 ' A' ' 35' ' ' ILE . 6.9 tm-20 -46.2 -47.38 17.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' A' ' 41' ' ' ARG . 1.8 ptt180 -71.2 -22.41 62.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 46' ' ' ARG . 7.9 t -71.54 133.08 45.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -42.69 -30.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -56.33 -44.02 79.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.585 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 79.5 m-70 -117.96 9.29 12.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.861 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' SER . 55.3 ttt-85 -64.49 138.25 58.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.28 -23.35 6.28 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.482 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 23.1 m170 -63.91 136.51 57.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -79.01 115.73 18.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.716 HG21 HD11 ' A' ' 35' ' ' ILE . 20.4 p -118.04 152.46 35.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.127 -179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -126.8 147.02 59.39 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.667 0.746 . . . . 0.0 110.842 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.417 ' HA ' ' O ' ' A' ' 25' ' ' LEU . 53.5 Cg_endo -69.76 79.89 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.683 2.255 . . . . 0.0 112.329 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 4.6 t -63.91 -33.93 76.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.129 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.0 m -112.89 -35.87 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.5 -151.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.52 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 179.05 4.02 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.692 2.261 . . . . 0.0 112.333 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.9 m 54.52 41.48 31.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 58.2 m -78.06 144.41 36.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.497 -179.956 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.4 p -72.79 137.82 46.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.845 0.355 . . . . 0.0 110.872 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -81.41 154.38 26.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 62.83 133.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.514 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.1 m -65.58 150.04 49.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.7 m -91.35 17.08 8.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.871 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.89 -128.29 2.92 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 53.3 p -137.95 137.09 20.54 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.34 2.24 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.684 2.256 . . . . 0.0 112.371 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.58 157.87 27.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.42 147.01 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.5 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' HG12 ' A' ' 14' ' ' VAL . 40.4 mt-30 -103.73 151.95 22.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.843 0.354 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 37.7 pttt -55.84 107.48 0.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.616 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 2.4 p -139.79 102.0 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.146 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.489 ' O ' HD12 ' A' ' 24' ' ' LEU . 42.6 m-20 52.48 48.04 23.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.831 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.616 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 8.6 m170 -83.38 130.73 35.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.423 ' O ' ' N ' ' A' ' 21' ' ' GLY . 30.5 t -59.85 121.97 13.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.93 -3.98 32.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.108 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 60.9 ttt180 -97.39 -44.19 6.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.867 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 54.8 m80 -111.55 -37.31 5.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 98.39 8.82 54.47 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.531 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -84.85 142.07 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.955 0.407 . . . . 0.0 110.868 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.514 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 15.5 mtpp -59.93 120.83 10.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.489 HD12 ' O ' ' A' ' 15' ' ' ASP . 29.1 mt -77.85 101.96 7.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.973 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 28.8 mt -117.7 5.54 12.33 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.935 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 ' O ' HG12 ' A' ' 34' ' ' VAL . 26.8 mt -115.85 168.6 9.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.7 t80 -143.85 105.54 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 2.9 t -67.06 136.29 55.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 30' ' ' GLU . 0.6 OUTLIER -91.25 -34.2 15.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 29' ' ' GLN . 7.1 mm-40 -64.43 -36.29 83.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -107.99 -22.54 12.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.829 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 71.23 32.77 65.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.574 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -135.16 143.89 46.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.815 0.341 . . . . 0.0 110.873 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.545 HG12 ' O ' ' A' ' 26' ' ' LEU . 2.9 m -66.57 131.85 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.097 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.736 HD11 HG21 ' A' ' 50' ' ' THR . 31.3 pt -130.62 150.5 34.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.163 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 21.2 p -95.88 178.86 5.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.417 ' CD2' ' N ' ' A' ' 37' ' ' TRP . 1.0 OUTLIER -49.25 -60.34 2.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 4.1 mm? -46.73 -47.72 20.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.947 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' CB ' ' HB ' ' A' ' 35' ' ' ILE . 53.5 m -59.16 -46.0 89.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.909 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -64.47 -38.97 92.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -84.24 17.4 2.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 44' ' ' GLU . 5.9 t -117.03 126.26 52.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.85 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' C ' ' O ' ' A' ' 42' ' ' SER . 41.6 mt-30 -35.25 -32.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.962 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 42' ' ' SER . 15.8 tt0 -50.33 -48.28 55.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.574 ' CE1' ' HD2' ' A' ' 33' ' ' LYS . 89.9 m-70 -117.84 -1.75 11.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -53.62 131.02 38.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.17 -26.97 12.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.574 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 26.6 m170 -63.8 154.48 33.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.791 0.329 . . . . 0.0 110.882 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.41 ' O ' ' HG2' ' A' ' 29' ' ' GLN . 39.9 m80 -91.54 118.73 30.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.84 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.736 HG21 HD11 ' A' ' 35' ' ' ILE . 34.5 p -110.26 147.71 33.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.159 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 33.2 m-85 -130.7 143.38 49.09 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.869 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 82.1 0.78 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.31 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.1 t -64.08 -33.43 75.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.136 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.0 p -110.27 -37.96 5.39 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 134.2 136.89 3.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.492 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.673 2.249 . . . . 0.0 112.385 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.4 t -71.99 -51.33 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.9 m -147.1 135.81 22.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.252 0 CA-C-O 119.091 -0.838 . . . . 0.0 112.471 -179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.8 m -74.03 -62.13 1.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.897 0.38 . . . . 0.0 110.88 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.9 m -109.47 150.04 28.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.33 -120.63 2.4 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m 55.63 42.19 29.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.848 0.356 . . . . 0.0 110.846 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.5 t -162.73 161.31 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.827 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.81 -135.84 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.496 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 m -89.4 152.42 47.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 110.888 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -17.24 37.86 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.691 2.261 . . . . 0.0 112.361 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.37 125.35 34.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 163.17 139.71 2.7 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -54.62 103.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.859 0.361 . . . . 0.0 110.904 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.549 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 11.4 tttp -68.76 109.72 3.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.459 ' CG1' ' HE3' ' A' ' 23' ' ' LYS . 1.6 p -140.22 109.02 3.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.131 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 56.05 46.02 22.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.597 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.82 129.25 37.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.821 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 23.3 t -58.76 126.58 28.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.02 -2.39 30.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' CE1' ' A' ' 20' ' ' HIS . 51.2 ttt85 -96.75 -44.36 7.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.861 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.409 ' CE1' ' HG2' ' A' ' 19' ' ' ARG . 22.5 m80 -117.96 -37.07 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.836 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.531 ' O ' ' CD2' ' A' ' 16' ' ' HIS . . . 112.05 -14.64 26.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.514 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.524 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.0 OUTLIER -66.29 142.21 57.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.918 0.389 . . . . 0.0 110.855 -179.832 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.597 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 32.1 mtpt -60.54 140.69 57.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 25' ' ' LEU . 8.3 mt -93.94 102.08 14.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.935 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.791 ' N ' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -110.5 -4.31 15.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.936 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD11 ' CE3' ' A' ' 37' ' ' TRP . 5.3 mt -108.84 157.82 18.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -130.76 111.32 12.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.93 135.32 43.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -90.82 -38.95 12.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -59.51 -38.31 80.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -105.21 -22.49 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 70.94 29.58 68.96 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.498 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.577 ' HD2' ' CE1' ' A' ' 45' ' ' HIS . 0.0 OUTLIER -132.04 142.49 49.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 110.921 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.418 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -67.74 128.45 31.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.122 179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.646 HD11 HG21 ' A' ' 50' ' ' THR . 26.4 pt -126.32 157.9 36.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.175 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.0 p -100.57 179.21 4.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.684 ' CZ2' HD13 ' A' ' 25' ' ' LEU . 2.0 m95 -52.4 -59.59 4.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.957 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.524 HD23 ' HG2' ' A' ' 22' ' ' GLU . 3.7 mm? -46.57 -42.08 15.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 29.1 m -67.02 -61.95 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.434 ' N ' HD12 ' A' ' 35' ' ' ILE . 10.0 tp10 -47.04 -45.29 21.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -70.65 -20.51 62.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -71.52 138.5 48.94 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.432 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 16.5 tm0? -54.74 -13.43 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -73.21 -39.0 65.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.876 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.597 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 62.1 m-70 -117.93 3.89 12.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.447 ' HB2' ' NH1' ' A' ' 46' ' ' ARG . 0.0 OUTLIER -60.55 144.31 51.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.85 -27.96 3.72 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.515 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.597 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 16.0 m170 -63.92 133.6 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.8 m80 -73.58 113.36 10.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.646 HG21 HD11 ' A' ' 35' ' ' ILE . 72.9 p -111.95 152.7 27.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.117 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 -136.2 147.7 61.5 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.676 0.751 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.43 ' CB ' ' HA ' ' A' ' 56' ' ' PRO . 53.2 Cg_endo -69.77 90.11 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.669 2.246 . . . . 0.0 112.336 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -81.16 -33.94 32.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.144 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 t -114.56 -36.07 4.7 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.837 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -141.26 142.02 11.72 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.468 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.43 ' HA ' ' CB ' ' A' ' 52' ' ' PRO . 53.6 Cg_endo -69.75 137.65 35.99 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.642 2.228 . . . . 0.0 112.341 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.5 t -125.28 142.37 51.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.2 p -143.59 158.07 43.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.83 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.464 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.438 -0.265 . . . . 0.0 112.438 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.7 p -84.6 169.57 14.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.888 0.375 . . . . 0.0 110.87 -179.742 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -73.54 122.24 21.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.47 -170.79 28.74 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 m 57.47 41.66 25.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.881 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -113.63 119.14 36.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.46 162.2 25.65 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.514 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.1 m -133.71 153.24 80.0 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.693 0.759 . . . . 0.0 110.832 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -13.47 34.69 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.634 2.222 . . . . 0.0 112.397 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -113.04 129.1 56.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -171.94 124.36 1.09 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -59.47 107.75 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.892 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.58 ' HA ' ' CE1' ' A' ' 16' ' ' HIS . 13.8 pttp -108.61 106.76 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 p -138.31 102.0 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.481 ' CG ' HD12 ' A' ' 24' ' ' LEU . 7.5 t0 57.81 47.97 14.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.609 ' CE1' ' HG2' ' A' ' 23' ' ' LYS . 3.8 m80 -74.59 124.02 25.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.416 ' O ' ' N ' ' A' ' 21' ' ' GLY . 34.9 t -56.52 123.9 16.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.878 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.94 -2.27 23.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HB3' ' SG ' ' A' ' 17' ' ' CYS . 40.9 ttt180 -98.07 -43.85 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.492 ' CD2' ' HB3' ' A' ' 38' ' ' LEU . 34.9 m80 -117.97 -34.89 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 17' ' ' CYS . . . 106.95 -13.4 41.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.1 143.88 57.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.943 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG2' ' CE1' ' A' ' 16' ' ' HIS . 44.5 mtpt -65.7 122.74 17.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD12 ' CG ' ' A' ' 15' ' ' ASP . 10.1 mt -73.53 102.02 3.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 27.4 mt -118.0 -1.11 11.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.097 HD21 ' CZ3' ' A' ' 37' ' ' TRP . 1.2 mm? -111.8 129.99 55.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 20.1 t80 -105.18 106.15 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 8.7 t -64.5 138.44 58.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.838 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -90.58 -39.52 12.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -60.68 -50.1 74.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.869 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -91.66 -25.05 19.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.868 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 74.31 25.09 71.57 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.56 ' HD3' HG23 ' A' ' 35' ' ' ILE . 0.0 OUTLIER -126.86 147.13 50.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.766 0.317 . . . . 0.0 110.954 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' H ' HG22 ' A' ' 34' ' ' VAL . 0.4 OUTLIER -72.24 124.44 28.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.166 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.56 HG23 ' HD3' ' A' ' 33' ' ' LYS . 41.0 pt -125.5 161.18 30.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.8 p -100.22 167.8 10.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 1.097 ' CZ3' HD21 ' A' ' 26' ' ' LEU . 3.1 m95 -45.14 -54.93 6.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.492 ' HB3' ' CD2' ' A' ' 20' ' ' HIS . 3.5 mm? -49.75 -41.74 44.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 60.7 m -70.82 -47.25 60.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 4.3 tm-20 -58.32 -40.64 82.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 41' ' ' ARG . 30.0 mtt180 -76.55 -3.75 39.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.8 t -88.28 138.76 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.829 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.466 ' HA ' ' CB ' ' A' ' 46' ' ' ARG . 0.1 OUTLIER -49.09 -29.36 5.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.906 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -55.19 -35.1 64.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 82.0 m-70 -118.01 5.85 12.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.466 ' CB ' ' HA ' ' A' ' 43' ' ' GLN . 2.6 tpm_? -58.49 125.46 23.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 92.66 4.82 65.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.571 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 14.7 m170 -100.71 120.88 40.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -63.4 120.72 12.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 5.2 p -111.72 139.77 46.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.176 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . 0.435 ' CD1' ' N ' ' A' ' 51' ' ' PHE . 3.2 m-85 -125.17 141.81 39.63 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.648 0.737 . . . . 0.0 110.898 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 79.76 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -63.69 -38.25 90.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.137 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 46.3 m -84.88 -53.04 5.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.87 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -45.17 111.93 0.64 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.519 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 110.66 2.6 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.708 2.272 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 23.0 t -130.5 116.6 18.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.837 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.1 t -59.99 174.69 0.47 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.854 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.08 -0.845 . . . . 0.0 112.469 -179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -91.42 -49.76 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.881 0.372 . . . . 0.0 110.876 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 86.0 p -53.87 127.12 24.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.92 -150.33 20.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.469 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 m -67.73 110.99 4.0 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.885 0.374 . . . . 0.0 110.864 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -53.83 -42.96 69.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.846 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.51 147.41 4.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.563 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 15.5 t 57.79 46.71 1.98 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.678 0.751 . . . . 0.0 110.853 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 8' ' ' SER . 53.6 Cg_endo -69.79 -23.6 30.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.673 2.249 . . . . 0.0 112.382 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 9' ' ' PRO . 1.9 pp20? 33.6 32.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.52 ' N ' ' O ' ' A' ' 9' ' ' PRO . . . -109.34 -141.79 9.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.437 ' CD ' ' O ' ' A' ' 12' ' ' GLN . 3.4 pp0? -63.18 110.33 1.82 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.35 . . . . 0.0 110.923 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -137.41 104.99 5.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.593 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 1.8 p -124.26 102.03 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 55.69 47.98 19.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.593 ' CD2' ' H ' ' A' ' 14' ' ' VAL . 10.7 m-70 -87.47 129.08 35.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 t -55.01 122.93 12.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.82 -6.89 29.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.104 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 25.4 ttt180 -98.16 -51.33 4.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.429 ' NE2' ' HB3' ' A' ' 38' ' ' LEU . 56.7 m80 -98.15 -42.33 7.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.95 17.06 31.24 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.448 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.553 ' HG2' HD23 ' A' ' 38' ' ' LEU . 0.1 OUTLIER -95.31 150.59 20.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.952 0.405 . . . . 0.0 110.883 -179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.544 ' HG2' ' NE2' ' A' ' 16' ' ' HIS . 42.0 mtpt -63.01 124.48 21.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.653 HD23 ' HB3' ' A' ' 36' ' ' CYS . 21.0 mt -87.23 103.8 15.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 57.6 mt -118.03 13.02 13.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.9 mt -125.18 144.1 50.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -119.13 109.49 15.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.474 ' HA ' HG22 ' A' ' 50' ' ' THR . 6.6 t -67.59 142.51 56.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.475 ' NE2' ' HG2' ' A' ' 30' ' ' GLU . 1.6 pp0? -93.4 -40.55 10.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.475 ' HG2' ' NE2' ' A' ' 29' ' ' GLN . 5.3 mm-40 -59.31 -41.62 89.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -99.28 -36.92 9.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.855 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 84.83 31.91 22.62 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.476 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.993 ' HE2' HG22 ' A' ' 35' ' ' ILE . 3.2 ptmt -129.79 168.58 16.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -87.97 115.56 28.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.104 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.993 HG22 ' HE2' ' A' ' 33' ' ' LYS . 18.9 pt -109.44 158.58 9.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.118 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.653 ' HB3' HD23 ' A' ' 24' ' ' LEU . 15.2 p -106.79 179.61 4.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -52.53 -50.0 63.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.553 HD23 ' HG2' ' A' ' 22' ' ' GLU . 4.0 mm? -57.55 -47.65 81.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.1 m -61.78 -44.58 96.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.81 -40.75 89.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 85.8 mtt-85 -89.82 16.6 7.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ARG . 18.9 t -110.54 141.76 43.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.413 ' HA ' ' HB2' ' A' ' 46' ' ' ARG . 96.0 mt-30 -46.39 -30.68 2.23 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -53.85 -48.86 69.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' CE1' ' A' ' 48' ' ' HIS . 97.4 m-70 -117.97 13.58 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.887 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' N ' ' O ' ' A' ' 42' ' ' SER . 39.5 ttm-85 -61.34 124.91 21.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.853 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 83.02 14.72 74.28 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' HIS . . . . . 0.53 ' CE1' ' HA ' ' A' ' 45' ' ' HIS . 25.4 m170 -96.66 139.21 33.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.849 0.357 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -79.55 111.48 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.854 HG21 HD11 ' A' ' 35' ' ' ILE . 82.2 p -115.27 153.18 31.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.173 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -135.56 150.73 72.98 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 98.45 0.69 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.349 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 8.9 t -83.97 -33.34 24.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.15 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 55' ' ' GLY . 65.6 m -84.37 -43.19 14.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.833 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 54' ' ' SER . . . -34.76 101.84 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.513 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -12.22 32.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.39 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.4 m -44.34 -54.91 5.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 47.6 t -80.57 -53.21 6.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.851 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_