data_2yte_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 2yte _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 ' 9' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.539 0.685 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.97 7.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 23' ' ' ASN . 60.5 m-85 -127.3 111.02 13.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -125.75 154.47 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 t -109.09 119.93 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.75 30.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -125.7 -54.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -108.27 -7.96 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.29 50.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.26 145.5 41.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.2 p -105.46 150.33 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 26' ' ' LEU . 12.7 m-85 -140.39 107.6 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 43.0 t -54.11 -31.02 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -120.02 143.03 48.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 52.8 t30 -60.52 -54.64 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' ASN . 74.6 m-80 -34.73 -56.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 20' ' ' PHE . 14.7 tp -64.54 -47.89 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.1 t -49.19 -53.67 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.11 -34.17 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 20.6 t60 -68.81 -33.18 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -60.6 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -66.26 -38.45 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.0 mtt -47.91 -28.44 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -7.75 21.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 77.0 m-85 -113.93 126.96 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -137.82 146.57 43.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -99.5 125.43 45.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 25.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -123.33 -40.62 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.36 -4.24 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 62.82 44.8 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.76 144.06 29.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -96.68 146.22 25.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 26' ' ' LEU . 87.8 m-85 -135.96 129.1 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 p -55.54 -39.09 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -128.51 178.84 6.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.2 t-20 -81.79 -52.01 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.0 t-20 -36.46 -44.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -65.66 -41.96 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 20' ' ' PHE . 12.4 tp -70.03 -56.9 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.33 -41.21 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -74.45 -20.79 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.9 t60 -88.18 -28.68 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -70.42 -28.0 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmm -60.34 -29.4 68.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.541 0.686 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 68.1 m-85 -116.81 114.78 24.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.3 p -128.32 153.74 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.97 121.48 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 33.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -133.67 -46.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.6 p -118.8 -3.97 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.12 49.01 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.32 175.55 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.5 p -132.0 146.34 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 26' ' ' LEU . 13.3 m-85 -137.6 137.91 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -69.89 -39.04 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.69 173.14 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.5 -46.49 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -40.5 -43.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.95 -42.53 97.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 20' ' ' PHE . 27.2 tp -63.07 -45.16 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.97 -58.56 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.7 -42.99 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -58.68 -53.47 57.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -42.43 -48.45 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -54.09 -36.82 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -27.6 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.555 0.693 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.79 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 57.9 m-85 -112.08 116.88 31.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -140.95 132.94 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.19 163.95 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.8 -36.59 5.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -69.34 -54.32 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -95.65 -23.33 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 68.16 51.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.17 136.89 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.2 p -92.18 131.2 37.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -119.27 156.35 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 -43.46 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.21 146.14 34.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 4.6 t30 -62.45 -50.7 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -43.26 -37.55 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.1 -36.4 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 10.4 tp -77.12 -56.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -52.02 -30.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -86.51 -38.27 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.42 -43.77 93.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -52.12 -28.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.22 -36.7 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mtt -63.73 -21.84 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.48 10.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.9 m-85 -119.94 101.65 8.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -127.72 158.68 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 t -112.96 122.29 47.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.15 24.55 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 33' ' ' HIS . 2.3 tp10 -120.21 -39.74 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.9 p -128.32 -4.17 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 64.09 54.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.23 127.18 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 151.45 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.489 ' CD1' HD13 ' A' ' 26' ' ' LEU . 81.8 m-85 -136.84 158.64 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.5 p -83.55 -50.92 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.42 168.05 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 10.5 t30 -76.96 -46.44 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.64 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -57.5 -47.27 82.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 20' ' ' PHE . 22.1 tp -58.79 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.76 -59.5 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.16 -33.72 67.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -67.9 -45.73 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.08 -23.96 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.86 -45.44 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.4 mtm -53.8 -29.5 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 15' ' ' GLU . 8.0 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -12.67 33.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 50.9 m-85 -107.37 103.7 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 p -122.56 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 t -81.55 123.99 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 21.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -117.97 -54.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -112.11 -3.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 63.16 52.76 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -106.6 147.85 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 p -100.63 147.01 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 26' ' ' LEU . 91.5 m-85 -137.34 141.42 41.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -69.62 -44.98 69.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.2 177.1 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -84.47 -53.15 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 4.8 p-10 -36.86 -51.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 72.8 mtt180 -54.77 -44.64 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 20' ' ' PHE . 22.0 tp -62.0 -56.9 14.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.83 -44.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.84 -19.0 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 4.2 t60 -91.93 -29.17 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -60.05 -47.46 85.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -36.2 78.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 68.1 mmm -50.11 -18.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.2 mptp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.78 34.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 67.2 m-85 -109.57 126.57 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -138.72 161.3 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -105.87 127.41 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.54 26.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -125.85 -48.43 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -112.6 -5.04 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp 64.62 48.69 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.21 -179.56 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -141.74 142.9 33.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 26' ' ' LEU . 12.0 m-85 -140.63 121.55 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 82.5 p -53.43 -42.71 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.9 162.09 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 8.3 t-20 -76.73 -52.33 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -37.72 -54.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -51.94 -44.93 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 20' ' ' PHE . 24.2 tp -62.65 -59.38 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -46.32 -47.78 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -67.98 -25.19 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.26 -26.96 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.55 -45.02 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -68.27 -37.35 80.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.3 mmt -47.56 -20.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.4 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -87.4 117.6 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -134.63 144.02 47.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.7 t -101.89 122.28 43.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.12 -55.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 p -105.82 -6.25 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.81 51.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.18 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.0 p -137.73 142.3 40.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.8 140.06 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 t -82.59 17.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -166.31 177.19 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 -44.6 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -48.54 -36.48 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -37.39 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.35 -57.15 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -45.76 -47.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.55 -35.98 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' MET . 7.1 t60 -67.48 -60.49 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -37.48 -36.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -63.55 -48.07 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' HIS . 4.2 mmt -46.68 -35.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 1.04 4.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 52.2 m-85 -128.14 110.32 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 p -128.23 155.46 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -100.62 163.97 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.57 -19.6 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -87.33 -51.65 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.16 -15.93 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 62.86 46.0 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -96.59 151.22 19.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 p -95.12 149.77 20.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.34 131.16 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 p -60.32 -44.63 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -113.53 176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 p-10 -85.36 -48.71 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 13.6 p-10 -37.96 -51.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 14.9 mtm180 -55.91 -48.36 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.19 -48.69 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.45 -58.6 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -59.28 -42.64 91.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -58.01 -50.72 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -41.03 -59.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -45.16 -41.03 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ttt -44.57 -43.12 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.02 11.17 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.736 2.29 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 75.6 m-85 -126.56 117.75 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -136.17 154.63 50.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.0 t -111.29 128.47 55.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' OE1' ' CD2' ' A' ' 33' ' ' HIS . 15.2 tt0 -119.73 -50.88 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.42 -3.95 12.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 10.4 mptt 61.69 48.66 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.3 148.15 26.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 p -107.57 148.51 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.453 ' CD2' HD13 ' A' ' 26' ' ' LEU . 69.2 m-85 -140.3 136.92 33.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.2 p -70.98 -36.34 72.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -117.77 168.08 10.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.505 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 t-20 -77.28 -50.61 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASN . 33.1 m-80 -34.5 -57.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -50.02 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 20' ' ' PHE . 20.1 tp -60.09 -45.27 93.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.02 -57.39 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -62.3 -42.14 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' MET . 26.0 t60 -55.58 -54.51 43.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -40.59 -45.04 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.31 -40.12 96.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.0 ttt -46.44 -32.4 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 47.5 m-85 -123.36 120.24 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -134.58 154.66 51.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -111.03 138.21 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.79 31.24 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -129.98 -43.65 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.38 -4.01 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm 62.82 45.4 5.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.94 128.54 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -90.0 135.36 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' A' ' 26' ' ' LEU . 66.1 m-85 -120.62 146.17 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.9 p -85.4 -34.44 21.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -119.06 139.95 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -57.04 -48.5 78.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -43.27 -50.92 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -56.89 -45.71 82.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.492 HD11 ' CE1' ' A' ' 20' ' ' PHE . 19.6 tp -61.38 -53.38 57.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.15 -54.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -61.12 -44.67 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.25 -47.36 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -49.1 -36.25 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -50.22 -44.5 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 mtt -58.32 -35.82 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -17.14 37.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.248 . . . . 0.0 112.385 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 22' ' ' ASP . 88.6 m-85 -102.14 115.51 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -130.89 122.84 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.02 125.49 26.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.9 23.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -124.34 -46.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.6 -3.86 11.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 62.45 46.78 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.13 152.53 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.2 p -103.86 151.47 23.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.424 ' CD1' HD12 ' A' ' 26' ' ' LEU . 95.8 m-85 -143.47 150.26 38.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 t -61.25 -54.76 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 8.8 m-20 -129.43 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' ASN . 16.4 p-10 -66.65 -57.33 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 25' ' ' ARG . 7.6 p30 -34.56 -51.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 9.6 mmt180 -59.04 -47.06 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASN . 18.3 tp -61.7 -53.2 59.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -50.45 -54.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.42 -34.89 59.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.31 -51.59 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.39 -42.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -41.67 -45.92 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 37.4 mtt -49.96 -39.21 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.3 Cg_endo -69.74 -10.86 29.61 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 35.4 m-85 -112.19 110.51 20.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -125.88 154.91 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.25 112.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 6.94 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.15 -49.41 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.2 p -117.77 -5.15 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 67.89 49.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.63 153.9 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -109.88 151.4 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 26' ' ' LEU . 69.4 m-85 -138.09 150.02 46.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -71.2 -50.07 36.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -121.96 163.21 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.0 p-10 -61.72 -53.23 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.3 m-80 -37.63 -58.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -50.64 -41.59 55.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 20' ' ' PHE . 7.1 tp -68.03 -53.92 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.99 -46.35 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.57 -39.98 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.43 -37.22 82.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -54.34 -31.46 54.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -63.38 -26.45 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 mtm -76.68 -2.53 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.74 10.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.4 m-85 -125.52 120.35 30.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -141.01 153.74 45.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.66 164.03 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.38 -29.57 7.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -78.87 -53.87 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.04 -20.92 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 66.38 46.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -101.16 158.74 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -99.48 153.31 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CD1' HD12 ' A' ' 26' ' ' LEU . 80.1 m-85 -140.97 143.04 34.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -68.07 -50.52 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -123.05 168.66 12.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -66.53 -55.04 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ASN . 7.3 m-20 -36.86 -48.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -61.02 -45.72 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 20' ' ' PHE . 17.9 tp -64.0 -52.73 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.42 -55.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.76 -44.69 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -54.68 -51.64 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.17 -38.98 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -40.78 -46.18 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtt -59.01 -41.75 88.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.63 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -112.28 131.16 55.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -140.96 153.04 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.15 128.26 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 32.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -132.97 -56.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -109.31 -4.36 16.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 42.18 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 19' ' ' THR . 10.5 tp10 -95.87 149.28 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 72.4 p -104.6 138.36 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CD1' HD13 ' A' ' 26' ' ' LEU . 73.0 m-85 -127.5 158.16 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -86.6 -39.54 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -114.93 158.53 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 1.3 p-10 -71.17 -48.15 53.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 16.1 t-20 -41.73 -57.33 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -50.93 -48.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 20' ' ' PHE . 26.2 tp -56.17 -52.64 63.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.2 t -54.35 -61.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.23 -38.18 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.98 -48.33 74.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.48 -34.37 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -58.95 -38.71 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.4 mtt -56.38 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.82 -17.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -117.84 123.79 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -140.86 120.68 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.95 127.28 32.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.23 23.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -126.48 -60.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.72 -3.85 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 61.76 43.33 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.85 136.58 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -95.46 141.37 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 26' ' ' LEU . 79.1 m-85 -130.69 145.61 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -78.21 -38.13 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -116.44 165.66 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -76.19 -50.21 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -38.9 -58.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -50.15 -45.56 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 20' ' ' PHE . 15.8 tp -63.78 -56.95 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -49.89 -53.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.24 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -59.62 -47.34 85.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -53.71 -32.2 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -67.61 -27.43 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 tpp -73.12 -26.18 61.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.43 26.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 94.3 m-85 -116.33 105.67 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -125.54 130.06 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.38 127.48 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 23.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 2.6 tp10 -123.12 -54.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -108.08 -4.97 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 62.26 47.89 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -104.09 137.66 41.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 p -93.44 143.24 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 26' ' ' LEU . 58.2 m-85 -137.17 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -68.13 -52.13 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.21 172.67 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.543 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 28.5 p-10 -79.3 -44.66 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -40.74 -45.91 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.87 -41.1 97.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 20' ' ' PHE . 38.7 tp -65.86 -44.32 85.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.19 -62.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.68 -41.41 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -52.92 -51.71 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -47.41 -36.79 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.97 -32.63 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 7.8 ptp -59.11 -39.47 82.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 95.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 20' ' ' PHE . 62.9 mttm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.604 0.716 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.2 28.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -97.64 119.58 36.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 m -136.87 148.82 47.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.71 125.77 40.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -128.32 -53.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.5 -2.69 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 67.0 46.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -103.48 161.36 13.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -121.69 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' HD13 ' A' ' 26' ' ' LEU . 51.5 m-85 -145.85 136.99 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -57.21 -50.52 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.75 175.13 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -45.33 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -39.69 -50.48 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -60.49 -40.03 89.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' ' 20' ' ' PHE . 22.0 tp -62.59 -49.95 73.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -53.22 -53.48 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -65.62 -58.26 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -43.7 -32.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -65.92 -41.37 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.9 mmt -56.27 -30.97 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 15.3 ttmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.78 -7.43 21.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 21.6 m-85 -124.16 86.01 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 p -118.37 159.44 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 163.87 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.28 -27.0 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -79.32 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -91.49 -19.28 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.6 50.26 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -103.78 140.27 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -89.17 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -132.83 134.72 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.3 p -90.22 31.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -173.84 124.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -50.38 -45.87 55.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -47.66 -57.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -50.56 -46.26 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 20' ' ' PHE . 15.8 tp -62.61 -44.81 95.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.28 -66.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.93 -29.9 65.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' MET . 13.1 t60 -64.27 -57.52 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -38.61 -42.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 12.2 mptt -58.2 -41.77 84.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' HIS . 41.6 mtt -47.4 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.583 0.706 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.95 17.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.23 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -119.7 114.93 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 p -131.28 139.73 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -90.2 130.95 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.93 26.02 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -124.5 -48.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -116.31 -3.6 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.64 54.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -106.55 167.83 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.4 p -119.67 157.08 29.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -148.68 145.84 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -83.9 -13.59 53.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -148.82 166.75 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.6 t30 -73.91 -55.13 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 17.2 t30 -37.72 -41.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -67.51 -41.03 85.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.0 tp -72.86 -56.18 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 24' ' ' ASN . 9.4 p -49.44 -38.36 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 5.3 mm100 -79.59 -16.33 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.5 t60 -90.82 -29.78 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -57.92 -56.6 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -50.04 -36.85 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 ttp -45.6 -37.29 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -145.82 170.02 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -116.27 84.09 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.09 127.67 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 46.56 44.01 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 t -136.13 106.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.14 170.47 36.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.93 129.19 55.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.1 OUTLIER -124.97 143.99 45.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.97 7.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.507 ' CZ ' ' HB2' ' A' ' 23' ' ' ASN . 60.5 m-85 -127.3 111.02 13.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -125.75 154.47 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 t -109.09 119.93 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.75 30.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -125.7 -54.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -108.27 -7.96 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.29 50.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.26 145.5 41.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.2 p -105.46 150.33 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 26' ' ' LEU . 12.7 m-85 -140.39 107.6 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.428 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 43.0 t -54.11 -31.02 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -120.02 143.03 48.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 52.8 t30 -60.52 -54.64 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' ASN . 74.6 m-80 -34.73 -56.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 20' ' ' PHE . 14.7 tp -64.54 -47.89 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.1 t -49.19 -53.67 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.11 -34.17 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 20.6 t60 -68.81 -33.18 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -60.6 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 ptpt -66.26 -38.45 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 39.0 mtt -47.91 -28.44 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -65.76 -35.81 81.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -105.48 82.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 m -107.09 133.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -133.38 40.75 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -119.27 -57.5 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.99 146.73 17.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 162.55 41.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.6 p -51.1 177.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -106.21 -48.4 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -61.8 -58.24 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m 58.41 41.86 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.41 -134.29 5.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -96.64 129.87 43.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -150.7 135.12 17.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.14 124.92 6.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -66.92 131.17 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.09 149.05 43.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -7.75 21.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 77.0 m-85 -113.93 126.96 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -137.82 146.57 43.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -99.5 125.43 45.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 25.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -123.33 -40.62 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.36 -4.24 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 62.82 44.8 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.76 144.06 29.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -96.68 146.22 25.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.554 ' CD1' HD11 ' A' ' 26' ' ' LEU . 87.8 m-85 -135.96 129.1 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 p -55.54 -39.09 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -128.51 178.84 6.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.2 t-20 -81.79 -52.01 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.0 t-20 -36.46 -44.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -65.66 -41.96 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.554 HD11 ' CD1' ' A' ' 20' ' ' PHE . 12.4 tp -70.03 -56.9 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.2 p -48.33 -41.21 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -74.45 -20.79 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.9 t60 -88.18 -28.68 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -70.42 -28.0 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmm -60.34 -29.4 68.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' THR . 16.3 m-70 -66.6 -23.69 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' HIS . 9.0 t -36.56 147.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.7 t -110.83 134.96 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -129.45 78.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.7 p -79.16 135.75 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.92 165.24 10.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 143.66 51.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.0 p -130.69 79.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -153.08 161.41 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.478 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -78.6 83.16 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -128.05 122.64 32.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.62 -163.59 37.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -78.36 114.32 17.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -107.51 125.54 51.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.66 86.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.23 42.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -117.63 144.42 34.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 68.1 m-85 -116.81 114.78 24.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.3 p -128.32 153.74 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.97 121.48 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 33.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -133.67 -46.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.6 p -118.8 -3.97 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.12 49.01 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.32 175.55 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.5 p -132.0 146.34 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.448 ' CD1' HD13 ' A' ' 26' ' ' LEU . 13.3 m-85 -137.6 137.91 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -69.89 -39.04 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.69 173.14 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.549 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.5 -46.49 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -40.5 -43.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.95 -42.53 97.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD13 ' CD1' ' A' ' 20' ' ' PHE . 27.2 tp -63.07 -45.16 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.97 -58.56 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.7 -42.99 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -58.68 -53.47 57.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -42.43 -48.45 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -54.09 -36.82 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -27.6 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -86.75 20.39 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -126.99 43.99 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.43 174.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -121.78 125.8 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.5 m -79.42 155.48 28.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.72 148.16 2.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -44.21 2.23 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -105.69 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 m -117.22 -56.19 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.479 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -146.86 134.27 20.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -49.69 -49.0 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.08 112.72 1.02 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -105.83 66.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -44.29 142.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.15 78.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -174.97 145.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.48 144.55 34.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.79 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 57.9 m-85 -112.08 116.88 31.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -140.95 132.94 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.19 163.95 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.8 -36.59 5.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -69.34 -54.32 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -95.65 -23.33 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 68.16 51.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.17 136.89 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.2 p -92.18 131.2 37.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -119.27 156.35 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 -43.46 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.21 146.14 34.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 4.6 t30 -62.45 -50.7 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -43.26 -37.55 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.1 -36.4 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 10.4 tp -77.12 -56.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -52.02 -30.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -86.51 -38.27 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.42 -43.77 93.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -52.12 -28.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' O ' ' CG2' ' A' ' 34' ' ' THR . 12.4 mmtm -55.22 -36.7 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mtt -63.73 -21.84 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -83.89 21.63 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' CG2' ' O ' ' A' ' 31' ' ' LYS . 11.3 t -95.99 145.65 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -91.25 109.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -98.11 -32.02 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -102.11 84.29 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.67 176.19 22.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 149.04 66.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.6 p -55.62 124.27 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 50.28 46.65 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.529 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -95.58 41.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -77.2 -61.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.25 107.77 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -83.91 102.31 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -128.09 89.46 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.3 -153.59 15.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -143.77 150.38 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.09 153.04 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.48 10.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.9 m-85 -119.94 101.65 8.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -127.72 158.68 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 t -112.96 122.29 47.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.15 24.55 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.436 ' HG2' ' CG ' ' A' ' 33' ' ' HIS . 2.3 tp10 -120.21 -39.74 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.9 p -128.32 -4.17 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 64.09 54.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.23 127.18 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 151.45 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.489 ' CD1' HD13 ' A' ' 26' ' ' LEU . 81.8 m-85 -136.84 158.64 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.5 p -83.55 -50.92 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.42 168.05 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 10.5 t30 -76.96 -46.44 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.64 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -57.5 -47.27 82.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.489 HD13 ' CD1' ' A' ' 20' ' ' PHE . 22.1 tp -58.79 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.76 -59.5 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.16 -33.72 67.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -67.9 -45.73 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.08 -23.96 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.86 -45.44 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.4 mtm -53.8 -29.5 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' THR . 8.0 m-70 -67.64 -27.44 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . 9.7 t -34.17 148.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 33.6 m -105.19 111.5 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.84 135.93 22.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.3 p -100.47 121.93 42.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -170.15 26.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.353 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -85.3 130.1 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.0 m 60.98 42.19 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -76.95 139.5 40.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -58.49 129.66 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.81 -161.43 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -112.1 48.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 t 61.62 44.69 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.92 118.43 6.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.88 118.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.98 144.3 34.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -12.67 33.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 50.9 m-85 -107.37 103.7 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 p -122.56 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 t -81.55 123.99 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 21.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -117.97 -54.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -112.11 -3.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 63.16 52.76 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -106.6 147.85 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 p -100.63 147.01 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.553 ' CD1' HD13 ' A' ' 26' ' ' LEU . 91.5 m-85 -137.34 141.42 41.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -69.62 -44.98 69.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.2 177.1 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.566 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -84.47 -53.15 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 4.8 p-10 -36.86 -51.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 72.8 mtt180 -54.77 -44.64 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.553 HD13 ' CD1' ' A' ' 20' ' ' PHE . 22.0 tp -62.0 -56.9 14.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.83 -44.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.84 -19.0 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 4.2 t60 -91.93 -29.17 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -60.05 -47.46 85.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.61 -36.2 78.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 68.1 mmm -50.11 -18.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -88.21 20.64 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -89.8 15.3 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.9 p -170.92 148.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -54.9 -46.47 74.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 t 48.15 50.64 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.43 78.91 1.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.4 Cg_endo -69.83 -16.57 37.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 24.5 p -35.42 139.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.1 p 38.69 45.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.513 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.5 t -120.34 76.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.86 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 77.2 p 34.52 41.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 84.23 47.73 5.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.0 m 37.64 42.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -130.32 144.26 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.29 155.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -101.05 124.91 47.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.391 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.406 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.2 mptp? -77.09 149.15 79.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.78 34.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.562 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 67.2 m-85 -109.57 126.57 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -138.72 161.3 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -105.87 127.41 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.54 26.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -125.85 -48.43 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -112.6 -5.04 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp 64.62 48.69 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.21 -179.56 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -141.74 142.9 33.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.527 ' CD1' HD11 ' A' ' 26' ' ' LEU . 12.0 m-85 -140.63 121.55 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 82.5 p -53.43 -42.71 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.9 162.09 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.562 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 8.3 t-20 -76.73 -52.33 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -37.72 -54.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -51.94 -44.93 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.527 HD11 ' CD1' ' A' ' 20' ' ' PHE . 24.2 tp -62.65 -59.38 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -46.32 -47.78 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -67.98 -25.19 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.26 -26.96 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.55 -45.02 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -68.27 -37.35 80.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.3 mmt -47.56 -20.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -83.8 19.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -90.01 160.04 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.416 ' O ' ' CG1' ' A' ' 35' ' ' VAL . 9.8 p -123.05 46.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -96.04 102.36 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.6 p -167.6 171.3 10.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 172.98 4.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' SER . 54.2 Cg_endo -69.73 115.79 4.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.1 t 35.16 42.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -116.68 80.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -87.4 117.83 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -89.01 -53.4 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.18 156.29 12.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -70.2 -50.91 35.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m 50.67 41.73 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.06 82.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -99.03 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -122.78 144.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.4 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -87.4 117.6 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -134.63 144.02 47.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.7 t -101.89 122.28 43.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.12 -55.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 p -105.82 -6.25 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.81 51.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.18 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.0 p -137.73 142.3 40.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.8 140.06 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 t -82.59 17.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -166.31 177.19 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 -44.6 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -48.54 -36.48 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -37.39 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.35 -57.15 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.1 p -45.76 -47.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.55 -35.98 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' MET . 7.1 t60 -67.48 -60.49 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -37.48 -36.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -63.55 -48.07 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' HIS . 4.2 mmt -46.68 -35.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -64.07 -35.65 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.0 p -86.39 122.26 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 85.1 t -87.65 -57.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt 42.03 42.24 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 37.8 p -68.11 -43.64 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.18 -94.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.4 Cg_endo -69.78 2.61 3.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.375 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' PRO . 5.7 t -34.57 135.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.9 p -66.58 -47.19 73.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.505 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -46.39 98.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -89.86 -54.33 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.91 87.15 1.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -88.8 148.92 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -103.24 -54.82 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.51 -155.91 26.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -133.12 89.56 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -86.36 147.93 45.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 1.04 4.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.557 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 52.2 m-85 -128.14 110.32 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 p -128.23 155.46 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -100.62 163.97 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.57 -19.6 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -87.33 -51.65 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.16 -15.93 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 62.86 46.0 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -96.59 151.22 19.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 p -95.12 149.77 20.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.34 131.16 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 p -60.32 -44.63 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -113.53 176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.557 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 p-10 -85.36 -48.71 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 13.6 p-10 -37.96 -51.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 14.9 mtm180 -55.91 -48.36 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.19 -48.69 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.45 -58.6 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -59.28 -42.64 91.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -58.01 -50.72 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -41.03 -59.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -45.16 -41.03 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ttt -44.57 -43.12 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -65.12 -36.94 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.4 p -82.16 112.39 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -119.56 145.31 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -120.04 102.72 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 t -123.85 173.25 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -64.52 -63.66 4.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 135.18 29.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 m -107.86 -52.83 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 t -110.67 -50.86 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.524 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 p -113.71 99.18 7.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -103.31 -61.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.82 155.62 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -83.88 -57.52 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -130.51 163.08 27.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.06 126.01 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -126.81 58.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -119.2 144.32 35.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.02 11.17 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.736 2.29 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 75.6 m-85 -126.56 117.75 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -136.17 154.63 50.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.0 t -111.29 128.47 55.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' OE1' ' CD2' ' A' ' 33' ' ' HIS . 15.2 tt0 -119.73 -50.88 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.42 -3.95 12.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.428 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 10.4 mptt 61.69 48.66 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.3 148.15 26.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 p -107.57 148.51 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.453 ' CD2' HD13 ' A' ' 26' ' ' LEU . 69.2 m-85 -140.3 136.92 33.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.2 p -70.98 -36.34 72.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -117.77 168.08 10.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.505 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 t-20 -77.28 -50.61 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASN . 33.1 m-80 -34.5 -57.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -50.02 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 HD13 ' CD2' ' A' ' 20' ' ' PHE . 20.1 tp -60.09 -45.27 93.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.02 -57.39 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -62.3 -42.14 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' MET . 26.0 t60 -55.58 -54.51 43.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -40.59 -45.04 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.31 -40.12 96.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.0 ttt -46.44 -32.4 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m-70 -66.05 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.9 p -87.54 89.68 8.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.86 139.72 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.08 142.49 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -75.94 129.34 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.73 146.23 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.6 Cg_endo -69.79 -3.93 13.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' PRO . 15.8 t -35.06 130.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.807 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' GLY . 30.5 t -158.65 137.81 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -171.12 142.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -101.99 -43.22 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -168.56 34.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -95.17 149.94 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -86.67 -54.36 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -166.98 85.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 7' ' ' GLY . 16.1 pt-20 -35.29 152.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -115.21 160.25 34.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.449 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 47.5 m-85 -123.36 120.24 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -134.58 154.66 51.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -111.03 138.21 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.79 31.24 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -129.98 -43.65 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.38 -4.01 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm 62.82 45.4 5.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.94 128.54 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -90.0 135.36 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' A' ' 26' ' ' LEU . 66.1 m-85 -120.62 146.17 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.9 p -85.4 -34.44 21.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -119.06 139.95 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.449 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -57.04 -48.5 78.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -43.27 -50.92 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -56.89 -45.71 82.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 HD11 ' CE1' ' A' ' 20' ' ' PHE . 19.6 tp -61.38 -53.38 57.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.15 -54.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -61.12 -44.67 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.25 -47.36 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -49.1 -36.25 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -50.22 -44.5 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 mtt -58.32 -35.82 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -68.95 -36.36 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 p -77.19 95.7 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.16 148.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -112.05 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.6 p -45.28 149.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.61 -84.08 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 34.9 t -99.16 135.43 40.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' SER . 6.6 t -34.64 114.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.524 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -97.91 95.51 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -98.85 87.25 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.18 102.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -71.79 95.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -94.33 -59.96 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.15 172.85 16.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -120.47 146.25 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 159.44 55.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -17.14 37.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.248 . . . . 0.0 112.385 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.544 ' CE2' ' HA ' ' A' ' 22' ' ' ASP . 88.6 m-85 -102.14 115.51 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -130.89 122.84 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.02 125.49 26.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.9 23.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -124.34 -46.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.6 -3.86 11.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 62.45 46.78 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.13 152.53 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.2 p -103.86 151.47 23.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.424 ' CD1' HD12 ' A' ' 26' ' ' LEU . 95.8 m-85 -143.47 150.26 38.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 t -61.25 -54.76 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.544 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 8.8 m-20 -129.43 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' ASN . 16.4 p-10 -66.65 -57.33 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 25' ' ' ARG . 7.6 p30 -34.56 -51.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 9.6 mmt180 -59.04 -47.06 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASN . 18.3 tp -61.7 -53.2 59.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.8 t -50.45 -54.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.42 -34.89 59.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.31 -51.59 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.39 -42.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -41.67 -45.92 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 37.4 mtt -49.96 -39.21 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -67.86 -36.43 80.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 8.1 t -105.41 111.0 23.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -76.23 126.57 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -173.68 175.86 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 t 44.4 42.82 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.89 157.51 28.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -34.13 15.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.0 t -174.13 176.29 2.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' SER . 15.9 m -37.4 -57.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.444 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -66.1 -61.22 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -106.93 137.1 45.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 69.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -145.98 167.66 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -105.5 -41.4 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.97 136.63 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -115.07 48.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 156.39 91.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.418 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.3 Cg_endo -69.74 -10.86 29.61 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.553 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 35.4 m-85 -112.19 110.51 20.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -125.88 154.91 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.25 112.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 6.94 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.15 -49.41 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.2 p -117.77 -5.15 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 67.89 49.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.63 153.9 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -109.88 151.4 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.56 ' CE1' HD11 ' A' ' 26' ' ' LEU . 69.4 m-85 -138.09 150.02 46.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -71.2 -50.07 36.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -121.96 163.21 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.553 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.0 p-10 -61.72 -53.23 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.3 m-80 -37.63 -58.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -50.64 -41.59 55.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 HD11 ' CE1' ' A' ' 20' ' ' PHE . 7.1 tp -68.03 -53.92 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.99 -46.35 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.57 -39.98 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.43 -37.22 82.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -54.34 -31.46 54.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -63.38 -26.45 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 mtm -76.68 -2.53 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -104.81 21.31 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.6 p -122.58 149.21 44.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.8 p -133.6 124.63 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -83.51 -51.42 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.4 m -85.39 143.88 28.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.03 72.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.72 21.89 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.381 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -158.27 129.77 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -163.17 121.1 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.87 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -109.81 132.94 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.21 -177.43 41.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -82.03 40.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -170.51 132.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.55 49.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 2.5 pp20? -55.37 157.07 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 mptp? -52.23 158.3 1.95 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.74 10.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.563 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.4 m-85 -125.52 120.35 30.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -141.01 153.74 45.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.66 164.03 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.38 -29.57 7.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -78.87 -53.87 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.04 -20.92 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 66.38 46.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -101.16 158.74 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -99.48 153.31 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.425 ' CD1' HD12 ' A' ' 26' ' ' LEU . 80.1 m-85 -140.97 143.04 34.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -68.07 -50.52 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -123.05 168.66 12.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.563 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -66.53 -55.04 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ASN . 7.3 m-20 -36.86 -48.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -61.02 -45.72 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.425 HD12 ' CD1' ' A' ' 20' ' ' PHE . 17.9 tp -64.0 -52.73 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.42 -55.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.76 -44.69 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -54.68 -51.64 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.17 -38.98 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -40.78 -46.18 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtt -59.01 -41.75 88.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -64.03 -36.95 85.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 p -75.96 122.45 24.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 36' ' ' LYS . 47.9 t -96.82 -43.14 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' VAL . 10.1 ptmm? 38.34 35.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -123.31 42.93 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.49 176.87 45.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -128.48 119.19 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.7 p -119.53 -44.32 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.507 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -111.19 45.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -81.91 44.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.56 93.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -82.64 92.44 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -122.65 -62.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.35 -126.54 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.09 172.72 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -97.63 143.97 27.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.63 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -112.28 131.16 55.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -140.96 153.04 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.15 128.26 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 32.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -132.97 -56.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -109.31 -4.36 16.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 42.18 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.438 ' HG3' ' N ' ' A' ' 19' ' ' THR . 10.5 tp10 -95.87 149.28 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.438 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 72.4 p -104.6 138.36 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' CD1' HD13 ' A' ' 26' ' ' LEU . 73.0 m-85 -127.5 158.16 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -86.6 -39.54 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -114.93 158.53 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 1.3 p-10 -71.17 -48.15 53.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 16.1 t-20 -41.73 -57.33 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -50.93 -48.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 HD13 ' CD1' ' A' ' 20' ' ' PHE . 26.2 tp -56.17 -52.64 63.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.2 t -54.35 -61.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.23 -38.18 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.98 -48.33 74.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.48 -34.37 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' O ' ' CG1' ' A' ' 35' ' ' VAL . 4.9 mtpm? -58.95 -38.71 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.4 mtt -56.38 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -98.41 -34.62 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.4 t -87.18 25.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.4 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 4.5 m -92.5 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 45.39 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 t -102.5 38.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.66 -94.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.48 27.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.0 p -90.51 150.16 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 23.7 m -135.93 114.64 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -86.62 113.17 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -112.44 102.18 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.69 -117.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -85.59 120.76 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -63.65 -57.78 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.99 54.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -120.13 41.51 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -51.25 148.31 8.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.417 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.82 -17.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.417 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -117.84 123.79 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -140.86 120.68 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.95 127.28 32.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.23 23.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -126.48 -60.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.72 -3.85 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 61.76 43.33 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.85 136.58 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -95.46 141.37 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 26' ' ' LEU . 79.1 m-85 -130.69 145.61 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -78.21 -38.13 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -116.44 165.66 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -76.19 -50.21 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -38.9 -58.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -50.15 -45.56 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 20' ' ' PHE . 15.8 tp -63.78 -56.95 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -49.89 -53.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.24 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -59.62 -47.34 85.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -53.71 -32.2 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -67.61 -27.43 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 tpp -73.12 -26.18 61.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -65.86 -36.32 83.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 p -49.5 109.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.55 120.64 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -111.94 146.98 36.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.3 m -87.59 -52.18 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.95 -158.33 8.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 124.57 11.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -159.95 151.39 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.9 m -150.58 154.69 38.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.454 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -113.67 139.85 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -105.27 -45.22 4.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.24 48.33 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -106.39 116.48 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -104.67 84.22 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.59 -164.57 2.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -128.69 162.18 27.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -142.06 151.6 59.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.43 26.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.543 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 94.3 m-85 -116.33 105.67 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -125.54 130.06 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.38 127.48 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 23.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 2.6 tp10 -123.12 -54.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -108.08 -4.97 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 62.26 47.89 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -104.09 137.66 41.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 p -93.44 143.24 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 26' ' ' LEU . 58.2 m-85 -137.17 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -68.13 -52.13 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.21 172.67 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.543 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 28.5 p-10 -79.3 -44.66 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -40.74 -45.91 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.87 -41.1 97.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.541 HD12 ' CD1' ' A' ' 20' ' ' PHE . 38.7 tp -65.86 -44.32 85.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.19 -62.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.68 -41.41 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -52.92 -51.71 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -47.41 -36.79 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.97 -32.63 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.409 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 7.8 ptp -59.11 -39.47 82.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 95.2 m-70 -71.21 -35.17 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.1 p -69.95 104.96 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.453 HG22 ' N ' ' A' ' 36' ' ' LYS . 3.2 m -94.56 -24.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.453 ' N ' HG22 ' A' ' 35' ' ' VAL . 39.4 tttt 34.44 50.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.3 t 71.98 44.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.64 -94.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.371 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.9 p -163.06 120.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 p -71.1 148.93 46.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.505 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.62 171.3 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -50.83 102.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.62 171.42 34.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -100.32 -28.4 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m -90.28 117.29 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.45 -52.09 3.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.04 130.34 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' HD3' ' C ' ' A' ' 20' ' ' PHE . 62.9 mttm -145.8 147.32 32.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.2 28.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -97.64 119.58 36.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 m -136.87 148.82 47.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.71 125.77 40.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -128.32 -53.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.5 -2.69 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 67.0 46.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -103.48 161.36 13.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -121.69 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.417 ' CD1' HD13 ' A' ' 26' ' ' LEU . 51.5 m-85 -145.85 136.99 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -57.21 -50.52 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.75 175.13 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -45.33 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -39.69 -50.48 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -60.49 -40.03 89.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.417 HD13 ' CD1' ' A' ' 20' ' ' PHE . 22.0 tp -62.59 -49.95 73.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -53.22 -53.48 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -65.62 -58.26 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -43.7 -32.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -65.92 -41.37 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.9 mmt -56.27 -30.97 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -66.06 -26.93 67.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -45.05 155.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.71 106.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -132.18 87.51 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 t -76.12 -48.66 19.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.04 143.88 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -27.27 26.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -77.5 103.02 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 t -114.52 118.37 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -125.48 98.62 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -107.89 168.18 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 135.22 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -124.45 -47.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p 40.87 43.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.58 148.01 7.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -100.97 169.04 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 15.3 ttmt -155.35 141.09 12.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.472 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.78 -7.43 21.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.47 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 21.6 m-85 -124.16 86.01 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 p -118.37 159.44 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 163.87 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.28 -27.0 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -79.32 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -91.49 -19.28 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.6 50.26 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -103.78 140.27 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -89.17 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' CD1' HD12 ' A' ' 26' ' ' LEU . 67.6 m-85 -132.83 134.72 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.3 p -90.22 31.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -173.84 124.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.47 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -50.38 -45.87 55.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -47.66 -57.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -50.56 -46.26 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 20' ' ' PHE . 15.8 tp -62.61 -44.81 95.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 73.8 t -57.28 -66.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.93 -29.9 65.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' MET . 13.1 t60 -64.27 -57.52 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -38.61 -42.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 12.2 mptt -58.2 -41.77 84.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' HIS . 41.6 mtt -47.4 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.49 22.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -96.84 105.93 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -136.78 146.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -148.66 111.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.8 p -152.64 151.19 30.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.86 -91.75 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 149.05 66.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 t -86.75 168.25 13.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 p -127.17 146.31 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.503 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -121.52 173.08 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -57.76 102.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.99 -58.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -82.25 47.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -63.17 128.94 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.65 153.92 36.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' C ' ' HE3' ' A' ' 9' ' ' LYS . 6.7 mm-40 -76.13 80.55 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.413 ' HE3' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -102.11 143.89 27.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.868 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.95 17.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.23 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -119.7 114.93 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 p -131.28 139.73 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -90.2 130.95 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.93 26.02 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -124.5 -48.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -116.31 -3.6 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.64 54.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -106.55 167.83 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.4 p -119.67 157.08 29.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -148.68 145.84 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -83.9 -13.59 53.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -148.82 166.75 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.6 t30 -73.91 -55.13 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 17.2 t30 -37.72 -41.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -67.51 -41.03 85.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.0 tp -72.86 -56.18 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG1' ' HA ' ' A' ' 24' ' ' ASN . 9.4 p -49.44 -38.36 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . 0.4 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 5.3 mm100 -79.59 -16.33 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.5 t60 -90.82 -29.78 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -57.92 -56.6 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' NZ ' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -50.04 -36.85 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 ttp -45.6 -37.29 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -68.59 -36.6 78.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.402 HG21 ' N ' ' A' ' 35' ' ' VAL . 39.8 m -67.97 139.15 56.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.402 ' N ' HG21 ' A' ' 34' ' ' THR . 60.2 t -88.6 133.9 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.154 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -123.93 82.93 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 p -89.3 -57.64 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.13 146.23 18.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -3.63 12.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -72.72 97.65 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -110.76 151.66 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.491 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.539 0.685 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.97 7.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.712 ' HB3' HD22 ' A' ' 26' ' ' LEU . 60.5 m-85 -127.3 111.02 13.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -125.75 154.47 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 t -109.09 119.93 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.75 30.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -125.7 -54.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -108.27 -7.96 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.29 50.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.26 145.5 41.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.2 p -105.46 150.33 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.7 m-85 -140.39 107.6 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 43.0 t -54.11 -31.02 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -120.02 143.03 48.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 52.8 t30 -60.52 -54.64 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' ASN . 74.6 m-80 -34.73 -56.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 11' ' ' TYR . 14.7 tp -64.54 -47.89 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.1 t -49.19 -53.67 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.11 -34.17 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 20.6 t60 -68.81 -33.18 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -60.6 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 32' ' ' MET . 10.7 ptpt -66.26 -38.45 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 39.0 mtt -47.91 -28.44 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -7.75 21.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 77.0 m-85 -113.93 126.96 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -137.82 146.57 43.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -99.5 125.43 45.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 25.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -123.33 -40.62 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.36 -4.24 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 62.82 44.8 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.76 144.06 29.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -96.68 146.22 25.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -135.96 129.1 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 p -55.54 -39.09 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -128.51 178.84 6.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.2 t-20 -81.79 -52.01 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.0 t-20 -36.46 -44.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -65.66 -41.96 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ASN . 12.4 tp -70.03 -56.9 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 28' ' ' GLN . 7.2 p -48.33 -41.21 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.6 mt-30 -74.45 -20.79 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.9 t60 -88.18 -28.68 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -70.42 -28.0 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmm -60.34 -29.4 68.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.541 0.686 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 68.1 m-85 -116.81 114.78 24.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.3 p -128.32 153.74 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.97 121.48 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 33.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -133.67 -46.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.6 p -118.8 -3.97 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.12 49.01 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.32 175.55 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.5 p -132.0 146.34 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -137.6 137.91 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -69.89 -39.04 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.69 173.14 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.5 -46.49 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -40.5 -43.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.95 -42.53 97.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.07 -45.16 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.97 -58.56 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.7 -42.99 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -58.68 -53.47 57.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -42.43 -48.45 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -54.09 -36.82 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -27.6 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.555 0.693 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.79 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 57.9 m-85 -112.08 116.88 31.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -140.95 132.94 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.19 163.95 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.8 -36.59 5.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -69.34 -54.32 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -95.65 -23.33 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 68.16 51.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.17 136.89 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.2 p -92.18 131.2 37.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -119.27 156.35 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 -43.46 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.21 146.14 34.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 4.6 t30 -62.45 -50.7 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.1 m-20 -43.26 -37.55 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.1 -36.4 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 10.4 tp -77.12 -56.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 24' ' ' ASN . 14.8 p -52.02 -30.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -86.51 -38.27 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.42 -43.77 93.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -52.12 -28.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.22 -36.7 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mtt -63.73 -21.84 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.48 10.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.9 m-85 -119.94 101.65 8.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -127.72 158.68 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 t -112.96 122.29 47.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.15 24.55 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 33' ' ' HIS . 2.3 tp10 -120.21 -39.74 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.9 p -128.32 -4.17 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 64.09 54.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.23 127.18 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 151.45 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -136.84 158.64 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.5 p -83.55 -50.92 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.42 168.05 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 10.5 t30 -76.96 -46.44 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.64 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -57.5 -47.27 82.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.79 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.76 -59.5 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.16 -33.72 67.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -67.9 -45.73 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.08 -23.96 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.86 -45.44 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.4 mtm -53.8 -29.5 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 15' ' ' GLU . 8.0 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -12.67 33.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 50.9 m-85 -107.37 103.7 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 p -122.56 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 t -81.55 123.99 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 21.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -117.97 -54.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -112.11 -3.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 63.16 52.76 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -106.6 147.85 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 p -100.63 147.01 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.34 141.42 41.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -69.62 -44.98 69.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.2 177.1 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -84.47 -53.15 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 4.5 p30 -36.86 -51.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 72.8 mtt180 -54.77 -44.64 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 11' ' ' TYR . 22.0 tp -62.0 -56.9 14.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.83 -44.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.84 -19.0 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 4.2 t60 -91.93 -29.17 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -60.05 -47.46 85.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' MET . 0.2 OUTLIER -60.61 -36.2 78.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 68.1 mmm -50.11 -18.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.2 mptp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.78 34.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 26' ' ' LEU . 67.2 m-85 -109.57 126.57 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -138.72 161.3 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -105.87 127.41 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.54 26.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -125.85 -48.43 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -112.6 -5.04 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp 64.62 48.69 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.21 -179.56 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -141.74 142.9 33.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -140.63 121.55 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 82.5 p -53.43 -42.71 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.9 162.09 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 8.3 t-20 -76.73 -52.33 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -37.72 -54.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -51.94 -44.93 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 11' ' ' TYR . 24.2 tp -62.65 -59.38 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -46.32 -47.78 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -67.98 -25.19 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.26 -26.96 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.55 -45.02 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -68.27 -37.35 80.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.3 mmt -47.56 -20.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.4 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -87.4 117.6 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -134.63 144.02 47.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.7 t -101.89 122.28 43.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.12 -55.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 p -105.82 -6.25 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.81 51.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.18 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.0 p -137.73 142.3 40.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.8 140.06 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 t -82.59 17.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -166.31 177.19 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 -44.6 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -48.54 -36.48 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -37.39 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.35 -57.15 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 28' ' ' GLN . 9.1 p -45.76 -47.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.3 mm100 -66.55 -35.98 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' MET . 7.1 t60 -67.48 -60.49 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -37.48 -36.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -63.55 -48.07 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' HIS . 4.2 mmt -46.68 -35.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 1.04 4.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 52.2 m-85 -128.14 110.32 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 p -128.23 155.46 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -100.62 163.97 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.57 -19.6 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -87.33 -51.65 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.16 -15.93 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 62.86 46.0 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -96.59 151.22 19.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 p -95.12 149.77 20.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.34 131.16 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 p -60.32 -44.63 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -113.53 176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 p-10 -85.36 -48.71 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 13.6 p-10 -37.96 -51.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 14.9 mtm180 -55.91 -48.36 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.19 -48.69 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.45 -58.6 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -59.28 -42.64 91.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -58.01 -50.72 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -41.03 -59.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -45.16 -41.03 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ttt -44.57 -43.12 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.02 11.17 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.736 2.29 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 75.6 m-85 -126.56 117.75 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -136.17 154.63 50.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.0 t -111.29 128.47 55.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' OE1' ' CD2' ' A' ' 33' ' ' HIS . 15.2 tt0 -119.73 -50.88 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.42 -3.95 12.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 10.4 mptt 61.69 48.66 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.3 148.15 26.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 p -107.57 148.51 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -140.3 136.92 33.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.2 p -70.98 -36.34 72.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -117.77 168.08 10.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 t-20 -77.28 -50.61 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASN . 33.1 m-80 -34.5 -57.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -50.02 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.09 -45.27 93.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.02 -57.39 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -62.3 -42.14 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' MET . 26.0 t60 -55.58 -54.51 43.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -40.59 -45.04 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.31 -40.12 96.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.0 ttt -46.44 -32.4 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 47.5 m-85 -123.36 120.24 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -134.58 154.66 51.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -111.03 138.21 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.79 31.24 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -129.98 -43.65 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.38 -4.01 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm 62.82 45.4 5.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.94 128.54 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -90.0 135.36 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.62 146.17 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.9 p -85.4 -34.44 21.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -119.06 139.95 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.463 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -57.04 -48.5 78.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -43.27 -50.92 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -56.89 -45.71 82.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.38 -53.38 57.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.15 -54.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -61.12 -44.67 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.25 -47.36 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -49.1 -36.25 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -50.22 -44.5 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 mtt -58.32 -35.82 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -17.14 37.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.248 . . . . 0.0 112.385 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 22' ' ' ASP . 88.6 m-85 -102.14 115.51 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -130.89 122.84 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.02 125.49 26.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.9 23.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -124.34 -46.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.6 -3.86 11.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 62.45 46.78 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.13 152.53 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.2 p -103.86 151.47 23.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.47 150.26 38.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 t -61.25 -54.76 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.556 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 8.8 m-20 -129.43 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' ASN . 16.4 p-10 -66.65 -57.33 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 25' ' ' ARG . 7.6 p30 -34.56 -51.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 9.6 mmt180 -59.04 -47.06 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASN . 18.3 tp -61.7 -53.2 59.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 31' ' ' LYS . 98.8 t -50.45 -54.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.42 -34.89 59.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.31 -51.59 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.39 -42.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 27' ' ' VAL . 4.0 mptp? -41.67 -45.92 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 37.4 mtt -49.96 -39.21 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.3 Cg_endo -69.74 -10.86 29.61 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 35.4 m-85 -112.19 110.51 20.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -125.88 154.91 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.25 112.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 6.94 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.15 -49.41 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.2 p -117.77 -5.15 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 67.89 49.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.63 153.9 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -109.88 151.4 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -138.09 150.02 46.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -71.2 -50.07 36.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -121.96 163.21 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.0 p-10 -61.72 -53.23 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.4 m120 -37.63 -58.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -50.64 -41.59 55.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.03 -53.92 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.99 -46.35 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.57 -39.98 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.43 -37.22 82.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -54.34 -31.46 54.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -63.38 -26.45 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 mtm -76.68 -2.53 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.74 10.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.4 m-85 -125.52 120.35 30.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -141.01 153.74 45.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.66 164.03 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.38 -29.57 7.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -78.87 -53.87 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.04 -20.92 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 66.38 46.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -101.16 158.74 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -99.48 153.31 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' HD13 ' A' ' 26' ' ' LEU . 80.1 m-85 -140.97 143.04 34.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -68.07 -50.52 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -123.05 168.66 12.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -66.53 -55.04 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ASN . 7.3 m-20 -36.86 -48.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -61.02 -45.72 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 20' ' ' PHE . 17.9 tp -64.0 -52.73 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.42 -55.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.76 -44.69 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -54.68 -51.64 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -48.17 -38.98 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -40.78 -46.18 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtt -59.01 -41.75 88.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.63 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -112.28 131.16 55.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -140.96 153.04 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.15 128.26 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 32.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -132.97 -56.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -109.31 -4.36 16.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 42.18 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' THR . 10.5 tp10 -95.87 149.28 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 72.4 p -104.6 138.36 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -127.5 158.16 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -86.6 -39.54 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -114.93 158.53 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 1.3 p-10 -71.17 -48.15 53.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 16.1 t-20 -41.73 -57.33 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -50.93 -48.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.17 -52.64 63.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.2 t -54.35 -61.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.23 -38.18 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.98 -48.33 74.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.48 -34.37 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -58.95 -38.71 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.4 mtt -56.38 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.82 -17.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -117.84 123.79 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -140.86 120.68 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.95 127.28 32.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.23 23.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -126.48 -60.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.72 -3.85 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 61.76 43.33 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.85 136.58 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -95.46 141.37 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.69 145.61 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -78.21 -38.13 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -116.44 165.66 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -76.19 -50.21 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -38.9 -58.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -50.15 -45.56 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.78 -56.95 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -49.89 -53.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.24 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -59.62 -47.34 85.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -53.71 -32.2 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -67.61 -27.43 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 tpp -73.12 -26.18 61.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.43 26.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 94.3 m-85 -116.33 105.67 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -125.54 130.06 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.38 127.48 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 23.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 2.6 tp10 -123.12 -54.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -108.08 -4.97 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 62.26 47.89 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -104.09 137.66 41.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 p -93.44 143.24 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 26' ' ' LEU . 58.2 m-85 -137.17 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -68.13 -52.13 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.21 172.67 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 28.5 p-10 -79.3 -44.66 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -40.74 -45.91 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.87 -41.1 97.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' A' ' 20' ' ' PHE . 38.7 tp -65.86 -44.32 85.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.19 -62.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.68 -41.41 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -52.92 -51.71 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -47.41 -36.79 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.97 -32.63 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 7.8 ptp -59.11 -39.47 82.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 95.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 20' ' ' PHE . 62.9 mttm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.604 0.716 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.2 28.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -97.64 119.58 36.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 m -136.87 148.82 47.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.71 125.77 40.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -128.32 -53.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.5 -2.69 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 67.0 46.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -103.48 161.36 13.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -121.69 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 51.5 m-85 -145.85 136.99 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -57.21 -50.52 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.75 175.13 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -79.2 -45.33 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -39.69 -50.48 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -60.49 -40.03 89.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 tp -62.59 -49.95 73.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -53.22 -53.48 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -65.62 -58.26 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -43.7 -32.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -65.92 -41.37 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.9 mmt -56.27 -30.97 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 15.3 ttmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.78 -7.43 21.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 21.6 m-85 -124.16 86.01 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 p -118.37 159.44 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 163.87 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.28 -27.0 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -79.32 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -91.49 -19.28 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.6 50.26 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -103.78 140.27 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -89.17 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 67.6 m-85 -132.83 134.72 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.3 p -90.22 31.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -173.84 124.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.486 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -50.38 -45.87 55.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -47.66 -57.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -50.56 -46.26 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -62.61 -44.81 95.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 23' ' ' ASN . 73.8 t -57.28 -66.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.93 -29.9 65.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' MET . 13.1 t60 -64.27 -57.52 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -38.61 -42.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 12.2 mptt -58.2 -41.77 84.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' HIS . 41.6 mtt -47.4 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.583 0.706 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.95 17.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.23 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -119.7 114.93 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 p -131.28 139.73 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -90.2 130.95 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.93 26.02 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -124.5 -48.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -116.31 -3.6 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.64 54.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -106.55 167.83 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.4 p -119.67 157.08 29.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 26' ' ' LEU . 76.8 m-85 -148.68 145.84 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -83.9 -13.59 53.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -148.82 166.75 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.6 t30 -73.91 -55.13 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 17.2 t30 -37.72 -41.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -67.51 -41.03 85.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.0 tp -72.86 -56.18 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 24' ' ' ASN . 9.4 p -49.44 -38.36 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 5.3 mm100 -79.59 -16.33 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.5 t60 -90.82 -29.78 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -57.92 -56.6 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -50.04 -36.85 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 ttp -45.6 -37.29 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -145.82 170.02 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -116.27 84.09 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.09 127.67 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 46.56 44.01 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 t -136.13 106.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.14 170.47 36.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.93 129.19 55.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.1 OUTLIER -124.97 143.99 45.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.97 7.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.712 ' HB3' HD22 ' A' ' 26' ' ' LEU . 60.5 m-85 -127.3 111.02 13.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -125.75 154.47 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 t -109.09 119.93 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.75 30.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -125.7 -54.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -108.27 -7.96 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.29 50.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.26 145.5 41.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.2 p -105.46 150.33 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.7 m-85 -140.39 107.6 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 43.0 t -54.11 -31.02 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -120.02 143.03 48.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 52.8 t30 -60.52 -54.64 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' ASN . 74.6 m-80 -34.73 -56.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 11' ' ' TYR . 14.7 tp -64.54 -47.89 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.1 t -49.19 -53.67 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.11 -34.17 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 20.6 t60 -68.81 -33.18 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -60.6 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 32' ' ' MET . 10.7 ptpt -66.26 -38.45 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.459 ' O ' HG13 ' A' ' 35' ' ' VAL . 39.0 mtt -47.91 -28.44 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -65.76 -35.81 81.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -105.48 82.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 32' ' ' MET . 16.7 m -107.09 133.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -133.38 40.75 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -119.27 -57.5 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.99 146.73 17.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 162.55 41.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.6 p -51.1 177.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -106.21 -48.4 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -61.8 -58.24 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m 58.41 41.86 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.41 -134.29 5.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -96.64 129.87 43.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -150.7 135.12 17.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.14 124.92 6.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -66.92 131.17 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.09 149.05 43.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -7.75 21.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 77.0 m-85 -113.93 126.96 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -137.82 146.57 43.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -99.5 125.43 45.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 25.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -123.33 -40.62 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.36 -4.24 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 62.82 44.8 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.76 144.06 29.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -96.68 146.22 25.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -135.96 129.1 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 p -55.54 -39.09 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -128.51 178.84 6.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.2 t-20 -81.79 -52.01 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.0 t-20 -36.46 -44.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -65.66 -41.96 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ASN . 12.4 tp -70.03 -56.9 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 28' ' ' GLN . 7.2 p -48.33 -41.21 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.6 mt-30 -74.45 -20.79 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.9 t60 -88.18 -28.68 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -70.42 -28.0 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmm -60.34 -29.4 68.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' THR . 16.3 m-70 -66.6 -23.69 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' HIS . 9.0 t -36.56 147.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.7 t -110.83 134.96 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -129.45 78.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.7 p -79.16 135.75 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.92 165.24 10.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 143.66 51.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.0 p -130.69 79.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -153.08 161.41 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.478 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -78.6 83.16 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -128.05 122.64 32.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.62 -163.59 37.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -78.36 114.32 17.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -107.51 125.54 51.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.66 86.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.23 42.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -117.63 144.42 34.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 68.1 m-85 -116.81 114.78 24.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.3 p -128.32 153.74 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.97 121.48 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 33.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -133.67 -46.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.6 p -118.8 -3.97 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.12 49.01 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.32 175.55 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.5 p -132.0 146.34 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -137.6 137.91 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -69.89 -39.04 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.69 173.14 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.5 -46.49 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -40.5 -43.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.95 -42.53 97.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.07 -45.16 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.97 -58.56 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.7 -42.99 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -58.68 -53.47 57.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -42.43 -48.45 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -54.09 -36.82 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -27.6 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -86.75 20.39 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -126.99 43.99 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.43 174.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -121.78 125.8 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.5 m -79.42 155.48 28.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.72 148.16 2.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -44.21 2.23 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -105.69 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 m -117.22 -56.19 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.479 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -146.86 134.27 20.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -49.69 -49.0 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.08 112.72 1.02 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -105.83 66.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -44.29 142.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.15 78.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -174.97 145.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.48 144.55 34.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.79 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 57.9 m-85 -112.08 116.88 31.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -140.95 132.94 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.19 163.95 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.8 -36.59 5.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -69.34 -54.32 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -95.65 -23.33 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 68.16 51.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.17 136.89 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.2 p -92.18 131.2 37.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -119.27 156.35 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 -43.46 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.21 146.14 34.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 4.6 t30 -62.45 -50.7 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.1 m-20 -43.26 -37.55 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.1 -36.4 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 10.4 tp -77.12 -56.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 24' ' ' ASN . 14.8 p -52.02 -30.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -86.51 -38.27 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.42 -43.77 93.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -52.12 -28.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.749 ' O ' HG22 ' A' ' 34' ' ' THR . 12.4 mmtm -55.22 -36.7 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mtt -63.73 -21.84 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -83.89 21.63 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 31' ' ' LYS . 11.3 t -95.99 145.65 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -91.25 109.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -98.11 -32.02 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -102.11 84.29 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.67 176.19 22.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 149.04 66.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.6 p -55.62 124.27 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 50.28 46.65 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.529 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -95.58 41.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -77.2 -61.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.25 107.77 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -83.91 102.31 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -128.09 89.46 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.3 -153.59 15.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -143.77 150.38 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.09 153.04 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.48 10.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.9 m-85 -119.94 101.65 8.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -127.72 158.68 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 t -112.96 122.29 47.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.15 24.55 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 33' ' ' HIS . 2.3 tp10 -120.21 -39.74 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.9 p -128.32 -4.17 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 64.09 54.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.23 127.18 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 151.45 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -136.84 158.64 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.5 p -83.55 -50.92 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.42 168.05 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 10.5 t30 -76.96 -46.44 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.64 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -57.5 -47.27 82.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.79 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.76 -59.5 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.16 -33.72 67.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -67.9 -45.73 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.08 -23.96 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.86 -45.44 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.4 mtm -53.8 -29.5 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' THR . 8.0 m-70 -67.64 -27.44 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . 9.7 t -34.17 148.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.615 HG23 ' O ' ' A' ' 35' ' ' VAL . 33.6 m -105.19 111.5 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.84 135.93 22.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.3 p -100.47 121.93 42.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -170.15 26.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.353 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -85.3 130.1 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.0 m 60.98 42.19 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -76.95 139.5 40.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -58.49 129.66 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.81 -161.43 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -112.1 48.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 t 61.62 44.69 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.92 118.43 6.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.88 118.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.98 144.3 34.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -12.67 33.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 50.9 m-85 -107.37 103.7 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 p -122.56 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 t -81.55 123.99 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 21.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -117.97 -54.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -112.11 -3.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 63.16 52.76 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -106.6 147.85 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 p -100.63 147.01 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.34 141.42 41.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -69.62 -44.98 69.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.2 177.1 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -84.47 -53.15 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 4.5 p30 -36.86 -51.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 72.8 mtt180 -54.77 -44.64 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 11' ' ' TYR . 22.0 tp -62.0 -56.9 14.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.83 -44.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.84 -19.0 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 4.2 t60 -91.93 -29.17 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -60.05 -47.46 85.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' MET . 0.2 OUTLIER -60.61 -36.2 78.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 68.1 mmm -50.11 -18.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -88.21 20.64 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -89.8 15.3 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 37' ' ' SER . 1.9 p -170.92 148.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -54.9 -46.47 74.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB2' HG13 ' A' ' 35' ' ' VAL . 8.7 t 48.15 50.64 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.43 78.91 1.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.4 Cg_endo -69.83 -16.57 37.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 24.5 p -35.42 139.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.1 p 38.69 45.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.513 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.5 t -120.34 76.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.86 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 77.2 p 34.52 41.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 84.23 47.73 5.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.0 m 37.64 42.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -130.32 144.26 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.29 155.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -101.05 124.91 47.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.391 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.2 mptp? -77.09 149.15 79.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.78 34.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 26' ' ' LEU . 67.2 m-85 -109.57 126.57 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -138.72 161.3 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -105.87 127.41 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.54 26.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -125.85 -48.43 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -112.6 -5.04 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp 64.62 48.69 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.21 -179.56 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -141.74 142.9 33.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -140.63 121.55 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 82.5 p -53.43 -42.71 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.9 162.09 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 8.3 t-20 -76.73 -52.33 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -37.72 -54.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -51.94 -44.93 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 11' ' ' TYR . 24.2 tp -62.65 -59.38 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -46.32 -47.78 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -67.98 -25.19 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.26 -26.96 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.55 -45.02 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -68.27 -37.35 80.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.3 mmt -47.56 -20.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -83.8 19.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -90.01 160.04 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.8 p -123.05 46.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -96.04 102.36 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.6 p -167.6 171.3 10.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 172.98 4.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' SER . 54.2 Cg_endo -69.73 115.79 4.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.1 t 35.16 42.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -116.68 80.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -87.4 117.83 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -89.01 -53.4 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.18 156.29 12.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -70.2 -50.91 35.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m 50.67 41.73 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.06 82.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -99.03 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -122.78 144.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.4 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -87.4 117.6 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -134.63 144.02 47.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.7 t -101.89 122.28 43.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.12 -55.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 p -105.82 -6.25 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.81 51.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.18 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.0 p -137.73 142.3 40.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.8 140.06 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 t -82.59 17.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -166.31 177.19 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 -44.6 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -48.54 -36.48 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -37.39 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.35 -57.15 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 28' ' ' GLN . 9.1 p -45.76 -47.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.3 mm100 -66.55 -35.98 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' MET . 7.1 t60 -67.48 -60.49 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -37.48 -36.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -63.55 -48.07 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' HIS . 4.2 mmt -46.68 -35.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -64.07 -35.65 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.0 p -86.39 122.26 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 37' ' ' SER . 85.1 t -87.65 -57.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt 42.03 42.24 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB3' HG12 ' A' ' 35' ' ' VAL . 37.8 p -68.11 -43.64 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.18 -94.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.4 Cg_endo -69.78 2.61 3.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.375 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' PRO . 5.7 t -34.57 135.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.9 p -66.58 -47.19 73.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.505 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -46.39 98.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -89.86 -54.33 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.91 87.15 1.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -88.8 148.92 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -103.24 -54.82 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.51 -155.91 26.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -133.12 89.56 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -86.36 147.93 45.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 1.04 4.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 52.2 m-85 -128.14 110.32 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 p -128.23 155.46 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -100.62 163.97 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.57 -19.6 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -87.33 -51.65 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.16 -15.93 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 62.86 46.0 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -96.59 151.22 19.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 p -95.12 149.77 20.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.34 131.16 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 p -60.32 -44.63 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -113.53 176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 p-10 -85.36 -48.71 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 13.6 p-10 -37.96 -51.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 14.9 mtm180 -55.91 -48.36 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.19 -48.69 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.45 -58.6 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -59.28 -42.64 91.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -58.01 -50.72 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -41.03 -59.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -45.16 -41.03 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ttt -44.57 -43.12 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -65.12 -36.94 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.4 p -82.16 112.39 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -119.56 145.31 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -120.04 102.72 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 t -123.85 173.25 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' ' 39' ' ' PRO . . . -64.52 -63.66 4.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 38' ' ' GLY . 54.1 Cg_endo -69.7 135.18 29.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 m -107.86 -52.83 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 t -110.67 -50.86 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.524 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 p -113.71 99.18 7.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -103.31 -61.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.82 155.62 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -83.88 -57.52 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -130.51 163.08 27.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.06 126.01 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -126.81 58.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -119.2 144.32 35.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.02 11.17 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.736 2.29 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 75.6 m-85 -126.56 117.75 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -136.17 154.63 50.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.0 t -111.29 128.47 55.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' OE1' ' CD2' ' A' ' 33' ' ' HIS . 15.2 tt0 -119.73 -50.88 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.42 -3.95 12.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 17' ' ' LYS . 10.4 mptt 61.69 48.66 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.3 148.15 26.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 p -107.57 148.51 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -140.3 136.92 33.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.2 p -70.98 -36.34 72.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -117.77 168.08 10.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 t-20 -77.28 -50.61 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASN . 33.1 m-80 -34.5 -57.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -50.02 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.09 -45.27 93.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.02 -57.39 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -62.3 -42.14 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' MET . 26.0 t60 -55.58 -54.51 43.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -40.59 -45.04 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.31 -40.12 96.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.0 ttt -46.44 -32.4 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m-70 -66.05 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.9 p -87.54 89.68 8.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.86 139.72 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.08 142.49 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -75.94 129.34 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.73 146.23 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.6 Cg_endo -69.79 -3.93 13.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' PRO . 15.8 t -35.06 130.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.807 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' GLY . 30.5 t -158.65 137.81 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -171.12 142.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -101.99 -43.22 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -168.56 34.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -95.17 149.94 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -86.67 -54.36 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -166.98 85.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 7' ' ' GLY . 16.1 pt-20 -35.29 152.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -115.21 160.25 34.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 47.5 m-85 -123.36 120.24 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -134.58 154.66 51.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -111.03 138.21 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.79 31.24 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -129.98 -43.65 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.38 -4.01 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm 62.82 45.4 5.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.94 128.54 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -90.0 135.36 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.62 146.17 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.9 p -85.4 -34.44 21.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -119.06 139.95 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.463 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -57.04 -48.5 78.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -43.27 -50.92 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -56.89 -45.71 82.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.38 -53.38 57.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.15 -54.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -61.12 -44.67 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.25 -47.36 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -49.1 -36.25 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -50.22 -44.5 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 mtt -58.32 -35.82 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -68.95 -36.36 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 p -77.19 95.7 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.16 148.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -112.05 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.6 p -45.28 149.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.61 -84.08 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 34.9 t -99.16 135.43 40.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' SER . 6.6 t -34.64 114.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.524 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -97.91 95.51 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -98.85 87.25 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.18 102.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -71.79 95.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -94.33 -59.96 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.15 172.85 16.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -120.47 146.25 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 159.44 55.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -17.14 37.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.248 . . . . 0.0 112.385 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 22' ' ' ASP . 88.6 m-85 -102.14 115.51 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -130.89 122.84 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.02 125.49 26.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.9 23.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -124.34 -46.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.6 -3.86 11.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 62.45 46.78 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.13 152.53 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.2 p -103.86 151.47 23.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.47 150.26 38.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 t -61.25 -54.76 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 8.8 m-20 -129.43 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' ASN . 16.4 p-10 -66.65 -57.33 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 25' ' ' ARG . 7.6 p30 -34.56 -51.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 9.6 mmt180 -59.04 -47.06 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASN . 18.3 tp -61.7 -53.2 59.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 31' ' ' LYS . 98.8 t -50.45 -54.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.42 -34.89 59.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.31 -51.59 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.39 -42.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 27' ' ' VAL . 4.0 mptp? -41.67 -45.92 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 37.4 mtt -49.96 -39.21 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -67.86 -36.43 80.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' THR . 8.1 t -105.41 111.0 23.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -76.23 126.57 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -173.68 175.86 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 t 44.4 42.82 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.89 157.51 28.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -34.13 15.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.0 t -174.13 176.29 2.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' SER . 15.9 m -37.4 -57.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.444 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -66.1 -61.22 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -106.93 137.1 45.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 69.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -145.98 167.66 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -105.5 -41.4 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' HG21 ' A' ' 19' ' ' THR . . . -148.97 136.63 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -115.07 48.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 156.39 91.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.3 Cg_endo -69.74 -10.86 29.61 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 35.4 m-85 -112.19 110.51 20.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -125.88 154.91 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.25 112.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 6.94 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.15 -49.41 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.2 p -117.77 -5.15 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 67.89 49.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.63 153.9 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 7' ' ' GLY . 24.7 p -109.88 151.4 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -138.09 150.02 46.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -71.2 -50.07 36.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -121.96 163.21 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.0 p-10 -61.72 -53.23 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.4 m120 -37.63 -58.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -50.64 -41.59 55.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.03 -53.92 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.99 -46.35 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.57 -39.98 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.43 -37.22 82.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -54.34 -31.46 54.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -63.38 -26.45 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 mtm -76.68 -2.53 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -104.81 21.31 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.6 p -122.58 149.21 44.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 37' ' ' SER . 14.8 p -133.6 124.63 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -83.51 -51.42 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 35' ' ' VAL . 19.4 m -85.39 143.88 28.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.03 72.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.72 21.89 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.381 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -158.27 129.77 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -163.17 121.1 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.87 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -109.81 132.94 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.21 -177.43 41.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -82.03 40.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -170.51 132.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.55 49.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 2.5 pp20? -55.37 157.07 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 mptp? -52.23 158.3 1.95 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.74 10.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.4 m-85 -125.52 120.35 30.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -141.01 153.74 45.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.66 164.03 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.38 -29.57 7.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -78.87 -53.87 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.04 -20.92 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 66.38 46.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -101.16 158.74 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -99.48 153.31 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' HD13 ' A' ' 26' ' ' LEU . 80.1 m-85 -140.97 143.04 34.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -68.07 -50.52 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -123.05 168.66 12.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -66.53 -55.04 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ASN . 7.3 m-20 -36.86 -48.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -61.02 -45.72 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 20' ' ' PHE . 17.9 tp -64.0 -52.73 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.42 -55.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.76 -44.69 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -54.68 -51.64 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -48.17 -38.98 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -40.78 -46.18 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtt -59.01 -41.75 88.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -64.03 -36.95 85.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 p -75.96 122.45 24.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 37' ' ' SER . 47.9 t -96.82 -43.14 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' VAL . 10.1 ptmm? 38.34 35.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 35' ' ' VAL . 23.3 t -123.31 42.93 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.49 176.87 45.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -128.48 119.19 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.7 p -119.53 -44.32 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.507 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -111.19 45.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -81.91 44.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.56 93.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -82.64 92.44 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -122.65 -62.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.35 -126.54 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.09 172.72 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -97.63 143.97 27.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.63 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -112.28 131.16 55.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -140.96 153.04 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.15 128.26 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 32.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -132.97 -56.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -109.31 -4.36 16.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 42.18 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' THR . 10.5 tp10 -95.87 149.28 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 72.4 p -104.6 138.36 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -127.5 158.16 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -86.6 -39.54 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -114.93 158.53 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 1.3 p-10 -71.17 -48.15 53.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 16.1 t-20 -41.73 -57.33 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -50.93 -48.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.17 -52.64 63.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.2 t -54.35 -61.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.23 -38.18 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.98 -48.33 74.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.48 -34.37 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.655 ' O ' HG13 ' A' ' 35' ' ' VAL . 4.9 mtpm? -58.95 -38.71 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.4 mtt -56.38 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -98.41 -34.62 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' THR . 1.4 t -87.18 25.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 31' ' ' LYS . 4.5 m -92.5 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 45.39 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 t -102.5 38.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.66 -94.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.48 27.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.0 p -90.51 150.16 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 23.7 m -135.93 114.64 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -86.62 113.17 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -112.44 102.18 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.69 -117.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -85.59 120.76 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -63.65 -57.78 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.99 54.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -120.13 41.51 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -51.25 148.31 8.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.82 -17.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -117.84 123.79 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -140.86 120.68 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.95 127.28 32.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.23 23.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -126.48 -60.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.72 -3.85 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 61.76 43.33 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.85 136.58 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -95.46 141.37 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.69 145.61 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -78.21 -38.13 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -116.44 165.66 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -76.19 -50.21 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -38.9 -58.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -50.15 -45.56 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.78 -56.95 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -49.89 -53.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.24 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -59.62 -47.34 85.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -53.71 -32.2 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -67.61 -27.43 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 tpp -73.12 -26.18 61.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -65.86 -36.32 83.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 p -49.5 109.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.0 p -125.55 120.64 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -111.94 146.98 36.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.3 m -87.59 -52.18 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.95 -158.33 8.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 124.57 11.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -159.95 151.39 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.9 m -150.58 154.69 38.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.454 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -113.67 139.85 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -105.27 -45.22 4.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.24 48.33 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -106.39 116.48 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -104.67 84.22 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.59 -164.57 2.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -128.69 162.18 27.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -142.06 151.6 59.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.43 26.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 94.3 m-85 -116.33 105.67 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -125.54 130.06 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.38 127.48 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 23.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 2.6 tp10 -123.12 -54.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -108.08 -4.97 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 62.26 47.89 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -104.09 137.66 41.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 p -93.44 143.24 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 26' ' ' LEU . 58.2 m-85 -137.17 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -68.13 -52.13 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.21 172.67 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 28.5 p-10 -79.3 -44.66 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -40.74 -45.91 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.87 -41.1 97.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' A' ' 20' ' ' PHE . 38.7 tp -65.86 -44.32 85.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.19 -62.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.68 -41.41 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -52.92 -51.71 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -47.41 -36.79 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.97 -32.63 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 7.8 ptp -59.11 -39.47 82.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 95.2 m-70 -71.21 -35.17 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.1 p -69.95 104.96 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' H ' ' A' ' 37' ' ' SER . 3.2 m -94.56 -24.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' VAL . 39.4 tttt 34.44 50.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.511 ' H ' HG23 ' A' ' 35' ' ' VAL . 1.3 t 71.98 44.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.64 -94.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.371 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.9 p -163.06 120.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 p -71.1 148.93 46.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.505 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.62 171.3 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -50.83 102.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.62 171.42 34.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -100.32 -28.4 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m -90.28 117.29 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.45 -52.09 3.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.04 130.34 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 20' ' ' PHE . 62.9 mttm -145.8 147.32 32.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.2 28.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -97.64 119.58 36.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 m -136.87 148.82 47.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.71 125.77 40.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -128.32 -53.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.5 -2.69 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 67.0 46.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -103.48 161.36 13.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -121.69 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 51.5 m-85 -145.85 136.99 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -57.21 -50.52 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.75 175.13 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -79.2 -45.33 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -39.69 -50.48 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -60.49 -40.03 89.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 tp -62.59 -49.95 73.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -53.22 -53.48 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -65.62 -58.26 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -43.7 -32.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -65.92 -41.37 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.9 mmt -56.27 -30.97 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -66.06 -26.93 67.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -45.05 155.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.71 106.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -132.18 87.51 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 t -76.12 -48.66 19.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.04 143.88 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -27.27 26.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -77.5 103.02 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 t -114.52 118.37 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -125.48 98.62 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -107.89 168.18 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 135.22 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -124.45 -47.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p 40.87 43.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.58 148.01 7.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -100.97 169.04 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 15.3 ttmt -155.35 141.09 12.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.78 -7.43 21.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 21.6 m-85 -124.16 86.01 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 p -118.37 159.44 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 163.87 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.28 -27.0 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -79.32 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -91.49 -19.28 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.6 50.26 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -103.78 140.27 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -89.17 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 67.6 m-85 -132.83 134.72 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.3 p -90.22 31.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -173.84 124.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.486 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -50.38 -45.87 55.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -47.66 -57.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -50.56 -46.26 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -62.61 -44.81 95.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 23' ' ' ASN . 73.8 t -57.28 -66.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.93 -29.9 65.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' MET . 13.1 t60 -64.27 -57.52 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -38.61 -42.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 31' ' ' LYS . 12.2 mptt -58.2 -41.77 84.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' HIS . 41.6 mtt -47.4 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.49 22.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -96.84 105.93 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -136.78 146.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -148.66 111.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.8 p -152.64 151.19 30.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.86 -91.75 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 149.05 66.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 t -86.75 168.25 13.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 p -127.17 146.31 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.503 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -121.52 173.08 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -57.76 102.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.99 -58.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -82.25 47.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -63.17 128.94 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.65 153.92 36.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' C ' ' HE3' ' A' ' 9' ' ' LYS . 6.7 mm-40 -76.13 80.55 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -102.11 143.89 27.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.868 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.95 17.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.23 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -119.7 114.93 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 p -131.28 139.73 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -90.2 130.95 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.93 26.02 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -124.5 -48.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -116.31 -3.6 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.64 54.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -106.55 167.83 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.4 p -119.67 157.08 29.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 26' ' ' LEU . 76.8 m-85 -148.68 145.84 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -83.9 -13.59 53.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -148.82 166.75 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.6 t30 -73.91 -55.13 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 17.2 t30 -37.72 -41.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -67.51 -41.03 85.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.0 tp -72.86 -56.18 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 24' ' ' ASN . 9.4 p -49.44 -38.36 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 5.3 mm100 -79.59 -16.33 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.5 t60 -90.82 -29.78 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -57.92 -56.6 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -50.04 -36.85 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 ttp -45.6 -37.29 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -68.59 -36.6 78.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.8 m -67.97 139.15 56.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.6 133.9 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -123.93 82.93 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 p -89.3 -57.64 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.13 146.23 18.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -3.63 12.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -72.72 97.65 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -110.76 151.66 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.491 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.539 0.685 . . . . 0.0 110.928 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.97 7.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.712 ' HB3' HD22 ' A' ' 26' ' ' LEU . 60.5 m-85 -127.3 111.02 13.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -125.75 154.47 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 t -109.09 119.93 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.75 30.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -125.7 -54.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -108.27 -7.96 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.29 50.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.26 145.5 41.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.2 p -105.46 150.33 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.7 m-85 -140.39 107.6 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 43.0 t -54.11 -31.02 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -120.02 143.03 48.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 52.8 t30 -60.52 -54.64 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' ASN . 74.6 m-80 -34.73 -56.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 11' ' ' TYR . 14.7 tp -64.54 -47.89 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.1 t -49.19 -53.67 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.11 -34.17 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 20.6 t60 -68.81 -33.18 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -60.6 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 32' ' ' MET . 10.7 ptpt -66.26 -38.45 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.411 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 39.0 mtt -47.91 -28.44 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -7.75 21.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 77.0 m-85 -113.93 126.96 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -137.82 146.57 43.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -99.5 125.43 45.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 25.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -123.33 -40.62 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.36 -4.24 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 62.82 44.8 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.76 144.06 29.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -96.68 146.22 25.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -135.96 129.1 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 p -55.54 -39.09 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -128.51 178.84 6.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.2 t-20 -81.79 -52.01 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.0 t-20 -36.46 -44.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -65.66 -41.96 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ASN . 12.4 tp -70.03 -56.9 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 28' ' ' GLN . 7.2 p -48.33 -41.21 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.6 mt-30 -74.45 -20.79 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.9 t60 -88.18 -28.68 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -70.42 -28.0 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmm -60.34 -29.4 68.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.541 0.686 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 68.1 m-85 -116.81 114.78 24.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.3 p -128.32 153.74 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.97 121.48 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 33.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -133.67 -46.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.6 p -118.8 -3.97 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.12 49.01 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.32 175.55 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.5 p -132.0 146.34 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -137.6 137.91 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -69.89 -39.04 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.69 173.14 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.5 -46.49 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -40.5 -43.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.95 -42.53 97.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.07 -45.16 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.97 -58.56 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.7 -42.99 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -58.68 -53.47 57.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -42.43 -48.45 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -54.09 -36.82 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -27.6 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.555 0.693 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.79 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 57.9 m-85 -112.08 116.88 31.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -140.95 132.94 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.19 163.95 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.8 -36.59 5.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -69.34 -54.32 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -95.65 -23.33 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 68.16 51.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.17 136.89 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.2 p -92.18 131.2 37.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -119.27 156.35 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 -43.46 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.21 146.14 34.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 4.6 t30 -62.45 -50.7 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.1 m-20 -43.26 -37.55 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.1 -36.4 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 10.4 tp -77.12 -56.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 24' ' ' ASN . 14.8 p -52.02 -30.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -86.51 -38.27 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.42 -43.77 93.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -52.12 -28.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -55.22 -36.7 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mtt -63.73 -21.84 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.48 10.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.9 m-85 -119.94 101.65 8.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -127.72 158.68 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 t -112.96 122.29 47.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.15 24.55 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 33' ' ' HIS . 2.3 tp10 -120.21 -39.74 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.9 p -128.32 -4.17 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 64.09 54.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.23 127.18 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 151.45 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -136.84 158.64 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.5 p -83.55 -50.92 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.42 168.05 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 10.5 t30 -76.96 -46.44 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.64 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -57.5 -47.27 82.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.79 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.76 -59.5 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.16 -33.72 67.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -67.9 -45.73 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.08 -23.96 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.86 -45.44 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.4 mtm -53.8 -29.5 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.445 ' CG ' ' HG2' ' A' ' 15' ' ' GLU . 8.0 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -12.67 33.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 50.9 m-85 -107.37 103.7 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 p -122.56 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 t -81.55 123.99 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 21.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -117.97 -54.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -112.11 -3.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 63.16 52.76 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -106.6 147.85 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 p -100.63 147.01 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.34 141.42 41.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -69.62 -44.98 69.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.2 177.1 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -84.47 -53.15 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 4.8 p-10 -36.86 -51.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 72.8 mtt180 -54.77 -44.64 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 11' ' ' TYR . 22.0 tp -62.0 -56.9 14.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.83 -44.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.84 -19.0 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 4.2 t60 -91.93 -29.17 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -60.05 -47.46 85.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' MET . 0.2 OUTLIER -60.61 -36.2 78.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 68.1 mmm -50.11 -18.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.2 mptp? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.78 34.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 26' ' ' LEU . 67.2 m-85 -109.57 126.57 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -138.72 161.3 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -105.87 127.41 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.54 26.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -125.85 -48.43 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -112.6 -5.04 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp 64.62 48.69 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.21 -179.56 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -141.74 142.9 33.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -140.63 121.55 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 82.5 p -53.43 -42.71 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.9 162.09 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 8.3 t-20 -76.73 -52.33 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -37.72 -54.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -51.94 -44.93 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 11' ' ' TYR . 24.2 tp -62.65 -59.38 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -46.32 -47.78 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -67.98 -25.19 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.26 -26.96 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.55 -45.02 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -68.27 -37.35 80.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.3 mmt -47.56 -20.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.4 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -87.4 117.6 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -134.63 144.02 47.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.7 t -101.89 122.28 43.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.12 -55.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 p -105.82 -6.25 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.81 51.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.18 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.0 p -137.73 142.3 40.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.8 140.06 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 t -82.59 17.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -166.31 177.19 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 -44.6 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -48.54 -36.48 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -37.39 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.35 -57.15 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 28' ' ' GLN . 9.1 p -45.76 -47.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.2 mm-40 -66.55 -35.98 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' MET . 7.1 t60 -67.48 -60.49 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -37.48 -36.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -63.55 -48.07 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' HIS . 4.2 mmt -46.68 -35.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.939 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 1.04 4.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 52.2 m-85 -128.14 110.32 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 p -128.23 155.46 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -100.62 163.97 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.57 -19.6 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -87.33 -51.65 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.16 -15.93 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 62.86 46.0 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -96.59 151.22 19.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 p -95.12 149.77 20.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.34 131.16 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 p -60.32 -44.63 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -113.53 176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 p-10 -85.36 -48.71 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 13.6 p-10 -37.96 -51.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 14.9 mtm180 -55.91 -48.36 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.19 -48.69 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.45 -58.6 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -59.28 -42.64 91.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -58.01 -50.72 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -41.03 -59.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -45.16 -41.03 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ttt -44.57 -43.12 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.98 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.02 11.17 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.736 2.29 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 75.6 m-85 -126.56 117.75 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -136.17 154.63 50.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.0 t -111.29 128.47 55.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.491 ' OE1' ' CD2' ' A' ' 33' ' ' HIS . 15.2 tt0 -119.73 -50.88 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.42 -3.95 12.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 10.4 mptt 61.69 48.66 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.3 148.15 26.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 p -107.57 148.51 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -140.3 136.92 33.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.2 p -70.98 -36.34 72.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -117.77 168.08 10.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 t-20 -77.28 -50.61 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASN . 33.1 m-80 -34.5 -57.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -50.02 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.09 -45.27 93.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.02 -57.39 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -62.3 -42.14 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' MET . 26.0 t60 -55.58 -54.51 43.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -40.59 -45.04 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.31 -40.12 96.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.0 ttt -46.44 -32.4 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 47.5 m-85 -123.36 120.24 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -134.58 154.66 51.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -111.03 138.21 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.79 31.24 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -129.98 -43.65 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.38 -4.01 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm 62.82 45.4 5.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.94 128.54 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -90.0 135.36 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.62 146.17 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.9 p -85.4 -34.44 21.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -119.06 139.95 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.463 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -57.04 -48.5 78.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -43.27 -50.92 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -56.89 -45.71 82.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.38 -53.38 57.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.15 -54.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -61.12 -44.67 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.25 -47.36 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -49.1 -36.25 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -50.22 -44.5 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 mtt -58.32 -35.82 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -17.14 37.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.248 . . . . 0.0 112.385 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 22' ' ' ASP . 88.6 m-85 -102.14 115.51 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -130.89 122.84 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.02 125.49 26.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.9 23.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -124.34 -46.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.6 -3.86 11.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 62.45 46.78 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.13 152.53 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.2 p -103.86 151.47 23.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.47 150.26 38.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 t -61.25 -54.76 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.556 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 8.8 m-20 -129.43 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' ASN . 16.4 p-10 -66.65 -57.33 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 25' ' ' ARG . 7.6 p30 -34.56 -51.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 9.6 mmt180 -59.04 -47.06 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASN . 18.3 tp -61.7 -53.2 59.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 31' ' ' LYS . 98.8 t -50.45 -54.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.42 -34.89 59.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.31 -51.59 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.39 -42.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 27' ' ' VAL . 4.0 mptp? -41.67 -45.92 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 37.4 mtt -49.96 -39.21 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.3 Cg_endo -69.74 -10.86 29.61 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 35.4 m-85 -112.19 110.51 20.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -125.88 154.91 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.25 112.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 6.94 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.15 -49.41 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.2 p -117.77 -5.15 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 67.89 49.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.63 153.9 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 24.7 p -109.88 151.4 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -138.09 150.02 46.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -71.2 -50.07 36.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -121.96 163.21 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.0 p-10 -61.72 -53.23 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.3 m-80 -37.63 -58.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -50.64 -41.59 55.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.03 -53.92 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.99 -46.35 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.57 -39.98 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.43 -37.22 82.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -54.34 -31.46 54.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -63.38 -26.45 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 mtm -76.68 -2.53 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.972 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? . . . . . 0 C--O 1.231 0.099 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.74 10.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.4 m-85 -125.52 120.35 30.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -141.01 153.74 45.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.66 164.03 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.38 -29.57 7.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -78.87 -53.87 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.04 -20.92 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 66.38 46.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -101.16 158.74 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -99.48 153.31 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' HD13 ' A' ' 26' ' ' LEU . 80.1 m-85 -140.97 143.04 34.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -68.07 -50.52 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -123.05 168.66 12.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -66.53 -55.04 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ASN . 7.3 m-20 -36.86 -48.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -61.02 -45.72 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 20' ' ' PHE . 17.9 tp -64.0 -52.73 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.42 -55.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.76 -44.69 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -54.68 -51.64 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.17 -38.98 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -40.78 -46.18 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtt -59.01 -41.75 88.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.63 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -112.28 131.16 55.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -140.96 153.04 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.15 128.26 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 32.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -132.97 -56.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -109.31 -4.36 16.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 42.18 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' THR . 10.5 tp10 -95.87 149.28 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 72.4 p -104.6 138.36 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -127.5 158.16 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -86.6 -39.54 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -114.93 158.53 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.433 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 1.3 p-10 -71.17 -48.15 53.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 16.1 t-20 -41.73 -57.33 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -50.93 -48.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.17 -52.64 63.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.2 t -54.35 -61.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.23 -38.18 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.98 -48.33 74.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.48 -34.37 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -58.95 -38.71 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.4 mtt -56.38 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.82 -17.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -117.84 123.79 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -140.86 120.68 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.95 127.28 32.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.23 23.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -126.48 -60.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.72 -3.85 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 61.76 43.33 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.85 136.58 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -95.46 141.37 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.69 145.61 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -78.21 -38.13 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -116.44 165.66 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -76.19 -50.21 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -38.9 -58.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -50.15 -45.56 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.78 -56.95 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -49.89 -53.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.24 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -59.62 -47.34 85.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -53.71 -32.2 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -67.61 -27.43 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 tpp -73.12 -26.18 61.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.43 26.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 94.3 m-85 -116.33 105.67 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -125.54 130.06 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.38 127.48 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 23.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 2.6 tp10 -123.12 -54.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -108.08 -4.97 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 62.26 47.89 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -104.09 137.66 41.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 p -93.44 143.24 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 26' ' ' LEU . 58.2 m-85 -137.17 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -68.13 -52.13 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.21 172.67 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 28.5 p-10 -79.3 -44.66 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -40.74 -45.91 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.87 -41.1 97.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' A' ' 20' ' ' PHE . 38.7 tp -65.86 -44.32 85.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.19 -62.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.68 -41.41 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -52.92 -51.71 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -47.41 -36.79 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.97 -32.63 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 7.8 ptp -59.11 -39.47 82.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 95.2 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 20' ' ' PHE . 62.9 mttm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.604 0.716 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.2 28.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -97.64 119.58 36.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 m -136.87 148.82 47.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.71 125.77 40.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -128.32 -53.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.5 -2.69 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 67.0 46.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -103.48 161.36 13.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -121.69 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.434 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 51.5 m-85 -145.85 136.99 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -57.21 -50.52 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.75 175.13 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -45.33 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -39.69 -50.48 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -60.49 -40.03 89.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 tp -62.59 -49.95 73.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -53.22 -53.48 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -65.62 -58.26 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -43.7 -32.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -65.92 -41.37 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.9 mmt -56.27 -30.97 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 15.3 ttmt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.78 -7.43 21.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 21.6 m-85 -124.16 86.01 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 p -118.37 159.44 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 163.87 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.28 -27.0 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -79.32 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -91.49 -19.28 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.6 50.26 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -103.78 140.27 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -89.17 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.449 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 67.6 m-85 -132.83 134.72 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.3 p -90.22 31.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -173.84 124.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.486 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -50.38 -45.87 55.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -47.66 -57.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -50.56 -46.26 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -62.61 -44.81 95.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 23' ' ' ASN . 73.8 t -57.28 -66.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.93 -29.9 65.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' MET . 13.1 t60 -64.27 -57.52 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -38.61 -42.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 12.2 mptt -58.2 -41.77 84.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' HIS . 41.6 mtt -47.4 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.583 0.706 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.95 17.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.23 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -119.7 114.93 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 p -131.28 139.73 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -90.2 130.95 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.93 26.02 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -124.5 -48.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -116.31 -3.6 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.64 54.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -106.55 167.83 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.4 p -119.67 157.08 29.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 26' ' ' LEU . 76.8 m-85 -148.68 145.84 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -83.9 -13.59 53.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -148.82 166.75 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.6 t30 -73.91 -55.13 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.411 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 17.2 t30 -37.72 -41.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -67.51 -41.03 85.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.0 tp -72.86 -56.18 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 24' ' ' ASN . 9.4 p -49.44 -38.36 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 5.3 mm100 -79.59 -16.33 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.5 t60 -90.82 -29.78 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -57.92 -56.6 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -50.04 -36.85 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 ttp -45.6 -37.29 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -145.82 170.02 17.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 110.849 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -116.27 84.09 2.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.837 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.09 127.67 1.0 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.472 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t 46.56 44.01 12.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.0 t -136.13 106.91 6.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.14 170.47 36.54 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.496 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -110.93 129.19 55.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.883 0.373 . . . . 0.0 110.917 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' HG2' ' N ' ' A' ' 21' ' ' SER . 0.1 OUTLIER -124.97 143.99 45.67 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.539 0.685 . . . . 0.0 110.928 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -0.97 7.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.652 2.235 . . . . 0.0 112.369 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.712 ' HB3' HD22 ' A' ' 26' ' ' LEU . 60.5 m-85 -127.3 111.02 13.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.933 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 54.4 p -125.75 154.47 42.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.824 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.1 t -109.09 119.93 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.75 30.46 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -125.7 -54.86 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.7 p -108.27 -7.96 15.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.29 50.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -114.26 145.5 41.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.2 p -105.46 150.33 25.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.144 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CD1' HD13 ' A' ' 26' ' ' LEU . 12.7 m-85 -140.39 107.6 5.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.441 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 43.0 t -54.11 -31.02 50.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -120.02 143.03 48.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.863 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.515 ' HB2' ' CZ ' ' A' ' 11' ' ' TYR . 52.8 t30 -60.52 -54.64 43.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.431 ' C ' ' O ' ' A' ' 23' ' ' ASN . 74.6 m-80 -34.73 -56.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.1 mtt-85 -53.1 -44.09 67.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.712 HD22 ' HB3' ' A' ' 11' ' ' TYR . 14.7 tp -64.54 -47.89 77.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.1 t -49.19 -53.67 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.118 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -65.11 -34.17 77.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.447 ' CG ' ' CZ ' ' A' ' 20' ' ' PHE . 20.6 t60 -68.81 -33.18 73.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -60.6 -52.54 64.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 32' ' ' MET . 10.7 ptpt -66.26 -38.45 87.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.459 ' O ' HG13 ' A' ' 35' ' ' VAL . 39.0 mtt -47.91 -28.44 2.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.855 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 13.2 m-70 -65.76 -35.81 81.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.848 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 30.6 p -105.48 82.73 1.85 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.148 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.459 HG13 ' O ' ' A' ' 32' ' ' MET . 16.7 m -107.09 133.39 51.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -133.38 40.75 3.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 38.8 t -119.27 -57.5 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.884 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.99 146.73 17.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 162.55 41.63 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.6 p -51.1 177.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.5 m -106.21 -48.4 3.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.488 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 m -61.8 -58.24 8.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.6 m 58.41 41.86 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.837 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.41 -134.29 5.82 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -96.64 129.87 43.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.84 0.352 . . . . 0.0 110.829 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.6 m -150.7 135.12 17.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.14 124.92 6.63 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.3 tm-20 -66.92 131.17 45.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -117.09 149.05 43.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.82 -7.75 21.86 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.679 2.252 . . . . 0.0 112.33 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 77.0 m-85 -113.93 126.96 55.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.92 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.6 t -137.82 146.57 43.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.84 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 48.9 t -99.5 125.43 45.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.896 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.37 25.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -123.33 -40.62 2.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.6 p -128.36 -4.24 5.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 0.0 OUTLIER 62.82 44.8 6.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -99.76 144.06 29.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.902 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -96.68 146.22 25.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -135.96 129.1 31.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 15.8 p -55.54 -39.09 70.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.836 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -128.51 178.84 6.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.896 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.49 ' O ' ' N ' ' A' ' 26' ' ' LEU . 1.2 t-20 -81.79 -52.01 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.418 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.0 t-20 -36.46 -44.38 0.43 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 28.0 mtt-85 -65.66 -41.96 91.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' ASN . 12.4 tp -70.03 -56.9 5.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG13 ' N ' ' A' ' 28' ' ' GLN . 7.2 p -48.33 -41.21 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.188 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.422 ' N ' HG13 ' A' ' 27' ' ' VAL . 46.6 mt-30 -74.45 -20.79 59.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.905 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.492 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.9 t60 -88.18 -28.68 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -61.68 -42.47 98.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.0 ptpp? -70.42 -28.0 64.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.938 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 21.2 mmm -60.34 -29.4 68.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.418 ' O ' ' C ' ' A' ' 34' ' ' THR . 16.3 m-70 -66.6 -23.69 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 33' ' ' HIS . 9.0 t -36.56 147.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 98.7 t -110.83 134.96 51.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.6 ttmp? -129.45 78.29 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 89.7 p -79.16 135.75 36.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 138.92 165.24 10.19 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.501 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 143.66 51.31 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.307 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 81.0 p -130.69 79.87 1.92 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.851 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.9 m -153.08 161.41 42.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.478 -179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.3 m -78.6 83.16 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.0 m -128.05 122.64 32.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.62 -163.59 37.1 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.462 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t -78.36 114.32 17.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.9 0.381 . . . . 0.0 110.873 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 p -107.51 125.54 51.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.66 86.29 0.78 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.493 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -107.23 42.35 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.942 0.401 . . . . 0.0 110.899 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? -117.63 144.42 34.23 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.541 0.686 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -7.4 20.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.681 2.254 . . . . 0.0 112.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 68.1 m-85 -116.81 114.78 24.43 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.3 p -128.32 153.74 46.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.848 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 34.3 t -107.97 121.48 44.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.83 33.84 0.53 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -133.67 -46.26 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.911 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.6 p -118.8 -3.97 10.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.12 49.01 4.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -101.32 175.55 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 19.5 p -132.0 146.34 52.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -137.6 137.91 38.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 83.5 p -69.89 -39.04 76.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.834 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -115.69 173.14 6.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.4 OUTLIER -82.5 -46.49 13.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -40.5 -43.78 1.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 31.4 mtp85 -63.95 -42.53 97.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 27.2 tp -63.07 -45.16 93.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 84.7 t -57.97 -58.56 5.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -59.7 -42.99 94.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 30.9 t60 -58.68 -53.47 57.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -42.43 -48.45 5.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.941 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 mttt -54.09 -36.82 63.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -50.11 -27.6 5.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -86.75 20.39 2.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.3 m -126.99 43.99 3.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.151 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 27.2 m -110.43 174.06 2.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.9 tptm -121.78 125.8 47.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 39.5 m -79.42 155.48 28.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.72 148.16 2.0 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.494 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -44.21 2.23 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.707 2.271 . . . . 0.0 112.375 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.1 t -105.69 174.38 5.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 15.6 m -117.22 -56.19 2.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.479 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m -146.86 134.27 20.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.9 p -49.69 -49.0 49.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.08 112.72 1.02 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.5 t -105.83 66.65 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 0.0 110.891 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 m -44.29 142.43 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.15 78.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -174.97 145.31 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.883 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -141.48 144.55 34.12 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.555 0.693 . . . . 0.0 110.916 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -20.79 34.51 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.667 2.245 . . . . 0.0 112.359 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 57.9 m-85 -112.08 116.88 31.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.5 t -140.95 132.94 27.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.19 163.95 22.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.8 -36.59 5.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -69.34 -54.32 15.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.899 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -95.65 -23.33 17.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.2 mmmm 68.16 51.75 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -110.17 136.89 48.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.2 p -92.18 131.2 37.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 43.1 m-85 -119.27 156.35 30.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.6 p -92.89 -43.46 8.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.828 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -109.21 146.14 34.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.565 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 4.6 t30 -62.45 -50.7 70.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.941 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.1 m-20 -43.26 -37.55 2.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -69.1 -36.4 77.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 23' ' ' ASN . 10.4 tp -77.12 -56.55 4.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG12 ' HA ' ' A' ' 24' ' ' ASN . 14.8 p -52.02 -30.1 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -86.51 -38.27 17.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -64.42 -43.77 93.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.828 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -52.12 -28.72 18.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.749 ' O ' HG22 ' A' ' 34' ' ' THR . 12.4 mmtm -55.22 -36.7 66.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.6 mtt -63.73 -21.84 66.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 72.0 m-70 -83.89 21.63 1.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.857 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.749 HG22 ' O ' ' A' ' 31' ' ' LYS . 11.3 t -95.99 145.65 25.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.139 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.3 p -91.25 109.17 20.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -98.11 -32.02 11.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -102.11 84.29 2.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 149.67 176.19 22.61 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 149.04 66.23 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.352 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.6 p -55.62 124.27 16.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.6 m 50.28 46.65 24.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.529 179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.8 m -95.58 41.89 1.1 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.845 0.355 . . . . 0.0 110.839 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m -77.2 -61.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.843 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.25 107.77 2.16 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -83.91 102.31 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.91 0.386 . . . . 0.0 110.843 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 m -128.09 89.46 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.3 -153.59 15.26 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.467 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -143.77 150.38 38.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.93 0.395 . . . . 0.0 110.906 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.09 153.04 54.02 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.583 0.706 . . . . 0.0 110.91 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.48 10.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.691 2.26 . . . . 0.0 112.365 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.9 m-85 -119.94 101.65 8.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -127.72 158.68 36.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 12.9 t -112.96 122.29 47.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.867 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.15 24.55 1.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.089 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.445 ' HG2' ' CG ' ' A' ' 33' ' ' HIS . 2.3 tp10 -120.21 -39.74 2.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.9 p -128.32 -4.17 5.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.3 mmmm 64.09 54.09 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -116.23 127.18 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.917 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.4 p -89.07 151.45 22.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.174 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -136.84 158.64 43.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 91.5 p -83.55 -50.92 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -107.42 168.05 9.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.887 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.52 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 10.5 t30 -76.96 -46.44 24.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.89 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -41.64 -51.1 4.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -57.5 -47.27 82.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.1 tp -58.79 -51.54 69.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 91.8 t -53.76 -59.5 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.117 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -57.16 -33.72 67.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 41.2 t60 -67.9 -45.73 73.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -58.08 -23.96 56.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.967 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -70.86 -45.44 64.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 23.4 mtm -53.8 -29.5 40.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.45 ' O ' ' C ' ' A' ' 34' ' ' THR . 8.0 m-70 -67.64 -27.44 66.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.45 ' C ' ' O ' ' A' ' 33' ' ' HIS . 9.7 t -34.17 148.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.615 ' O ' HG23 ' A' ' 35' ' ' VAL . 33.6 m -105.19 111.5 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.082 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -146.84 135.93 22.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 93.3 p -100.47 121.93 42.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.97 -170.15 26.01 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -174.11 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.662 2.242 . . . . 0.0 112.353 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.1 m -85.3 130.1 34.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 39.0 m 60.98 42.19 13.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.446 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.5 m -76.95 139.5 40.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.3 m -58.49 129.66 43.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.81 -161.43 9.23 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.519 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -112.1 48.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.5 t 61.62 44.69 8.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.92 118.43 6.18 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -119.88 118.84 31.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.98 144.3 34.48 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.625 0.726 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -12.67 33.41 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.676 2.251 . . . . 0.0 112.312 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 50.9 m-85 -107.37 103.7 13.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.936 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.2 p -122.56 133.37 54.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 9.9 t -81.55 123.99 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.2 21.21 1.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.5 mp0 -117.97 -54.86 2.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 18.1 p -112.11 -3.1 14.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mmmt 63.16 52.76 2.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -106.6 147.85 28.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 p -100.63 147.01 26.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.146 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -137.34 141.42 41.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 78.5 p -69.62 -44.98 69.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.822 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -114.2 177.1 4.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.572 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -84.47 -53.15 5.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 4.8 p-10 -36.86 -51.87 0.91 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.413 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 72.8 mtt180 -54.77 -44.64 73.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 11' ' ' TYR . 22.0 tp -62.0 -56.9 14.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.83 -44.96 38.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 31.6 mt-30 -69.84 -19.0 63.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.422 ' CD2' ' C ' ' A' ' 29' ' ' HIS . 4.2 t60 -91.93 -29.17 16.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -60.05 -47.46 85.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 32' ' ' MET . 0.2 OUTLIER -60.61 -36.2 78.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.412 ' N ' ' HG3' ' A' ' 31' ' ' LYS . 68.1 mmm -50.11 -18.43 0.56 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -88.21 20.64 3.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.3 t -89.8 15.3 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.425 HG13 ' HB2' ' A' ' 37' ' ' SER . 1.9 p -170.92 148.96 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -54.9 -46.47 74.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.425 ' HB2' HG13 ' A' ' 35' ' ' VAL . 8.7 t 48.15 50.64 15.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 87.43 78.91 1.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.47 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.4 Cg_endo -69.83 -16.57 37.31 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.254 . . . . 0.0 112.323 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' PRO . 24.5 p -35.42 139.6 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 83.1 p 38.69 45.54 0.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.513 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.5 t -120.34 76.57 1.19 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.897 0.38 . . . . 0.0 110.86 -179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 2' ' ' SER . 77.2 p 34.52 41.41 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 84.23 47.73 5.37 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 4' ' ' GLY . 3.0 m 37.64 42.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 0.0 110.823 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -130.32 144.26 51.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -39.29 155.39 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.468 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -101.05 124.91 47.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.92 0.391 . . . . 0.0 110.835 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 21' ' ' SER . 1.2 mptp? -77.09 149.15 79.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.611 0.719 . . . . 0.0 110.882 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -20.78 34.44 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.684 2.256 . . . . 0.0 112.355 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.617 ' HB3' HD22 ' A' ' 26' ' ' LEU . 67.2 m-85 -109.57 126.57 53.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.949 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.8 m -138.72 161.3 37.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.888 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 23.7 t -105.87 127.41 53.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.54 26.25 1.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.108 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -125.85 -48.43 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.3 p -112.6 -5.04 14.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 25.0 mmtp 64.62 48.69 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -100.21 -179.56 4.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.2 p -141.74 142.9 33.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -140.63 121.55 14.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.423 ' N ' ' HG2' ' A' ' 9' ' ' LYS . 82.5 p -53.43 -42.71 67.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -105.9 162.09 13.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.87 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 8.3 t-20 -76.73 -52.33 9.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.9 p-10 -37.72 -54.37 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 54.3 mtp85 -51.94 -44.93 64.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.617 HD22 ' HB3' ' A' ' 11' ' ' TYR . 24.2 tp -62.65 -59.38 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.2 t -46.32 -47.78 6.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.147 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -67.98 -25.19 65.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -84.26 -26.96 28.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.55 -45.02 95.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -68.27 -37.35 80.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 28.3 mmt -47.56 -20.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -83.8 19.76 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.0 t -90.01 160.04 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.177 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.648 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.8 p -123.05 46.09 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.5 tmtt? -96.04 102.36 14.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 87.6 p -167.6 171.3 10.38 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -59.72 172.98 4.84 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 40' ' ' SER . 54.2 Cg_endo -69.73 115.79 4.25 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.353 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' PRO . 1.1 t 35.16 42.18 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -116.68 80.79 1.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.455 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.4 m -87.4 117.83 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.872 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.6 t -89.01 -53.4 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.857 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.18 156.29 12.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.526 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.2 t -70.2 -50.91 35.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.878 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 m 50.67 41.73 26.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.831 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.06 82.74 0.18 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 44.6 mm-40 -99.03 43.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.953 0.406 . . . . 0.0 110.905 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -122.78 144.03 41.72 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.573 0.701 . . . . 0.0 110.911 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -22.4 32.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.356 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -87.4 117.6 26.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 94.2 p -134.63 144.02 47.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 18.7 t -101.89 122.28 43.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.42 31.62 0.51 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.129 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -130.12 -55.31 1.11 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.9 p -105.82 -6.25 19.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 64.81 51.4 1.82 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.18 173.86 6.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.843 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.0 p -137.73 142.3 40.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -130.8 140.06 50.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.5 t -82.59 17.61 1.75 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.831 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -166.31 177.19 6.97 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -93.99 -44.6 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -48.54 -36.48 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.65 -37.39 67.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.9 tp -72.35 -57.15 4.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.548 HG13 ' N ' ' A' ' 28' ' ' GLN . 9.1 p -45.76 -47.94 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.106 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.548 ' N ' HG13 ' A' ' 27' ' ' VAL . 9.2 mm-40 -66.55 -35.98 81.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.876 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 32' ' ' MET . 7.1 t60 -67.48 -60.49 2.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -37.48 -36.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 37.9 mtpt -63.55 -48.07 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 29' ' ' HIS . 4.2 mmt -46.68 -35.52 6.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -64.07 -35.65 81.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.0 p -86.39 122.26 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.127 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.411 HG12 ' HB3' ' A' ' 37' ' ' SER . 85.1 t -87.65 -57.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.133 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 10.1 ptmt 42.03 42.24 2.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.411 ' HB3' HG12 ' A' ' 35' ' ' VAL . 37.8 p -68.11 -43.64 77.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.842 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.18 -94.99 0.15 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.451 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.4 Cg_endo -69.78 2.61 3.39 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.652 2.235 . . . . 0.0 112.375 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 39' ' ' PRO . 5.7 t -34.57 135.0 0.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.9 p -66.58 -47.19 73.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.857 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.505 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.7 p -46.39 98.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -89.86 -54.33 4.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.91 87.15 1.89 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.47 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.1 m -88.8 148.92 23.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.4 t -103.24 -54.82 2.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.836 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.51 -155.91 26.82 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.445 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -133.12 89.56 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.888 0.375 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -86.36 147.93 45.76 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.572 0.701 . . . . 0.0 110.91 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.65 1.04 4.72 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.728 2.285 . . . . 0.0 112.367 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.57 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 52.2 m-85 -128.14 110.32 12.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.947 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 57.7 p -128.23 155.46 44.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 5.1 t -100.62 163.97 12.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.57 -19.6 12.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.134 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -87.33 -51.65 5.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 20.0 p -108.16 -15.93 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? 62.86 46.0 5.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -96.59 151.22 19.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.7 p -95.12 149.77 20.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -141.34 131.16 24.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 p -60.32 -44.63 95.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -113.53 176.71 4.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.57 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 2.9 p-10 -85.36 -48.71 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' CG ' ' N ' ' A' ' 25' ' ' ARG . 13.6 p-10 -37.96 -51.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.404 ' N ' ' CG ' ' A' ' 24' ' ' ASN . 14.9 mtm180 -55.91 -48.36 75.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.19 -48.69 80.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -54.45 -58.6 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -59.28 -42.64 91.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 36.5 t60 -58.01 -50.72 72.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -41.03 -59.52 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -45.16 -41.03 7.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.933 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 6.6 ttt -44.57 -43.12 7.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 67.7 m-70 -65.12 -36.94 85.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 76.4 p -82.16 112.39 19.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.184 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 96.8 t -119.56 145.31 25.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -120.04 102.72 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.934 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 t -123.85 173.25 8.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.405 ' N ' ' HD2' ' A' ' 39' ' ' PRO . . . -64.52 -63.66 4.12 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.405 ' HD2' ' N ' ' A' ' 38' ' ' GLY . 54.1 Cg_endo -69.7 135.18 29.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.371 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.2 m -107.86 -52.83 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 24.8 t -110.67 -50.86 2.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.524 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.6 p -113.71 99.18 7.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.882 0.372 . . . . 0.0 110.856 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 m -103.31 -61.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.862 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -49.82 155.62 2.28 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.489 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -83.88 -57.52 3.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.931 0.396 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -130.51 163.08 27.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.06 126.01 2.58 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.484 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -126.81 58.52 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.942 0.401 . . . . 0.0 110.916 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -119.2 144.32 35.96 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -3.02 11.17 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.736 2.29 . . . . 0.0 112.349 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.511 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 75.6 m-85 -126.56 117.75 23.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.2 p -136.17 154.63 50.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.84 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 47.0 t -111.29 128.47 55.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.44 23.42 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.084 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.491 ' OE1' ' CD2' ' A' ' 33' ' ' HIS . 15.2 tt0 -119.73 -50.88 2.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.0 p -115.42 -3.95 12.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.827 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' N ' ' HD2' ' A' ' 17' ' ' LYS . 10.4 mptt 61.69 48.66 5.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -103.3 148.15 26.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.7 p -107.57 148.51 29.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -140.3 136.92 33.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 77.2 p -70.98 -36.34 72.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -117.77 168.08 10.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.511 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 3.5 t-20 -77.28 -50.61 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 23' ' ' ASN . 33.1 m-80 -34.5 -57.51 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.7 -50.02 56.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 20.1 tp -60.09 -45.27 93.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -56.02 -57.39 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.143 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -62.3 -42.14 99.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.409 ' O ' ' N ' ' A' ' 32' ' ' MET . 26.0 t60 -55.58 -54.51 43.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 -40.59 -45.04 2.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -63.31 -40.12 96.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.0 ttt -46.44 -32.4 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' OE1' ' A' ' 15' ' ' GLU . 40.5 m-70 -66.05 -35.05 79.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.9 p -87.54 89.68 8.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.135 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 89.9 t -51.86 139.72 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.152 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -157.08 142.49 17.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.8 m -75.94 129.34 36.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.84 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -43.73 146.23 1.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' SER . 53.6 Cg_endo -69.79 -3.93 13.02 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 0.0 112.337 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' PRO . 15.8 t -35.06 130.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.807 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 42' ' ' GLY . 30.5 t -158.65 137.81 11.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.842 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.511 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -171.12 142.72 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.881 0.372 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -101.99 -43.22 5.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.94 -168.56 34.28 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.445 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -95.17 149.94 20.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.846 0.355 . . . . 0.0 110.892 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m -86.67 -54.36 4.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.861 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.441 ' O ' ' C ' ' A' ' 8' ' ' GLU . . . -166.98 85.69 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' C ' ' O ' ' A' ' 7' ' ' GLY . 16.1 pt-20 -35.29 152.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.952 0.406 . . . . 0.0 110.885 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -115.21 160.25 34.84 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.594 0.712 . . . . 0.0 110.89 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -8.32 23.29 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.693 2.262 . . . . 0.0 112.375 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 47.5 m-85 -123.36 120.24 32.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.958 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 95.2 p -134.58 154.66 51.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.0 t -111.03 138.21 47.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -100.79 31.24 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.7 mp0 -129.98 -43.65 1.2 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.4 p -123.38 -4.01 8.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 mmmm 62.82 45.4 5.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.94 128.54 51.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -90.0 135.36 33.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.148 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -120.62 146.17 46.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 80.9 p -85.4 -34.44 21.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.839 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -119.06 139.95 50.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.825 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.463 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.8 OUTLIER -57.04 -48.5 78.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -43.27 -50.92 6.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 45.7 mtt180 -56.89 -45.71 82.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 19.6 tp -61.38 -53.38 57.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.15 -54.36 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.118 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.5 mt-30 -61.12 -44.67 96.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -53.25 -47.36 69.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -49.1 -36.25 18.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -50.22 -44.5 53.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 12.9 mtt -58.32 -35.82 72.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -68.95 -36.36 77.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.835 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 60.8 p -77.19 95.7 4.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.123 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 56.0 t -77.16 148.01 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 3.5 mppt? -112.05 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.895 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.6 p -45.28 149.82 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -131.61 -84.08 0.28 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.509 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.323 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 41' ' ' SER . 34.9 t -99.16 135.43 40.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 40' ' ' SER . 6.6 t -34.64 114.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.841 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.524 179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.7 m -97.91 95.51 7.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 110.894 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -98.85 87.25 3.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.18 102.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.3 p -71.79 95.05 1.46 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 0.0 110.894 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 t -94.33 -59.96 1.83 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.15 172.85 16.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.454 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -120.47 146.25 46.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.49 159.44 55.16 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.64 0.733 . . . . 0.0 110.878 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -17.14 37.67 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.671 2.248 . . . . 0.0 112.385 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.556 ' CE2' ' HA ' ' A' ' 22' ' ' ASP . 88.6 m-85 -102.14 115.51 30.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 89.2 p -130.89 122.84 27.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 4.2 t -67.02 125.49 26.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.9 23.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -124.34 -46.4 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 26.7 p -116.6 -3.86 11.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 29.2 mmtt 62.45 46.78 5.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.85 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -105.13 152.53 22.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 32.2 p -103.86 151.47 23.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.136 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.47 150.26 38.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.3 t -61.25 -54.76 39.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.556 ' HA ' ' CE2' ' A' ' 11' ' ' TYR . 8.8 m-20 -129.43 179.48 5.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.845 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 24' ' ' ASN . 16.4 p-10 -66.65 -57.33 7.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.498 ' OD1' ' N ' ' A' ' 25' ' ' ARG . 7.6 p30 -34.56 -51.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.498 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 9.6 mmt180 -59.04 -47.06 86.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASN . 18.3 tp -61.7 -53.2 59.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.579 HG12 ' HE2' ' A' ' 31' ' ' LYS . 98.8 t -50.45 -54.65 8.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -53.42 -34.89 59.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -69.31 -51.59 35.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 -38.39 -42.09 0.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.579 ' HE2' HG12 ' A' ' 27' ' ' VAL . 4.0 mptp? -41.67 -45.92 3.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 37.4 mtt -49.96 -39.21 39.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.8 m-70 -67.86 -36.43 80.28 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 34' ' ' THR . 8.1 t -105.41 111.0 23.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.136 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 23.8 m -76.23 126.57 37.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -173.68 175.86 2.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.2 t 44.4 42.82 5.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 99.89 157.51 28.4 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -34.13 15.07 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.682 2.255 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 41' ' ' SER . 8.0 t -174.13 176.29 2.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.833 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 40' ' ' SER . 15.9 m -37.4 -57.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.444 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.5 t -66.1 -61.22 2.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -106.93 137.1 45.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.817 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.09 69.44 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.508 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.4 m -145.98 167.66 22.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.892 0.377 . . . . 0.0 110.864 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.2 p -105.5 -41.4 5.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.414 ' O ' HG21 ' A' ' 19' ' ' THR . . . -148.97 136.63 5.92 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 52.4 mm-40 -115.07 48.3 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.959 0.409 . . . . 0.0 110.889 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.57 156.39 91.76 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.624 0.726 . . . . 0.0 110.879 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.434 ' HG2' ' CE2' ' A' ' 11' ' ' TYR . 54.3 Cg_endo -69.74 -10.86 29.61 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.56 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 35.4 m-85 -112.19 110.51 20.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 87.2 p -125.88 154.91 42.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.852 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 2.9 t -108.25 112.66 25.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.0 6.94 4.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -98.15 -49.41 4.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 23.2 p -117.77 -5.15 11.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 67.89 49.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -109.63 153.9 23.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.86 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.414 HG21 ' O ' ' A' ' 7' ' ' GLY . 24.7 p -109.88 151.4 27.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.218 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -138.09 150.02 46.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.7 t -71.2 -50.07 36.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -121.96 163.21 19.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.56 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 9.0 p-10 -61.72 -53.23 58.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 23' ' ' ASN . 3.3 m-80 -37.63 -58.14 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 9.9 mmt180 -50.64 -41.59 55.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.1 tp -68.03 -53.92 22.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.99 -46.35 12.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.124 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.57 -39.98 94.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 26.6 t60 -67.43 -37.22 82.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.824 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -54.34 -31.46 54.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -63.38 -26.45 68.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 mtm -76.68 -2.53 33.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.0 m-70 -104.81 21.31 17.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 81.6 p -122.58 149.21 44.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.163 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 37' ' ' SER . 14.8 p -133.6 124.63 48.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 26.3 mttp -83.51 -51.42 7.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.467 ' O ' HG22 ' A' ' 35' ' ' VAL . 19.4 m -85.39 143.88 28.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.828 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 48.03 72.32 0.45 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 131.72 21.89 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.697 2.264 . . . . 0.0 112.381 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.5 t -158.27 129.77 6.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.82 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 12.0 t -163.17 121.1 1.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.097 -0.835 . . . . 0.0 112.479 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -124.96 144.87 50.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.3 m -109.81 132.94 53.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.21 -177.43 41.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.7 t -82.03 40.6 0.63 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.881 0.372 . . . . 0.0 110.858 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 t -170.51 132.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.55 49.31 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' CD ' ' O ' ' A' ' 9' ' ' LYS . 2.5 pp20? -55.37 157.07 3.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.389 . . . . 0.0 110.902 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.425 ' O ' ' CD ' ' A' ' 8' ' ' GLU . 1.4 mptp? -52.23 158.3 1.95 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -2.74 10.72 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.689 2.259 . . . . 0.0 112.295 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.576 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 58.4 m-85 -125.52 120.35 30.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.5 p -141.01 153.74 45.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.831 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 1.8 t -93.66 164.03 13.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.888 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.38 -29.57 7.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.05 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -78.87 -53.87 6.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 p -98.04 -20.92 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.864 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp 66.38 46.69 1.9 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -101.16 158.74 15.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.923 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.2 p -99.48 153.31 19.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.107 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.415 ' CD1' HD13 ' A' ' 26' ' ' LEU . 80.1 m-85 -140.97 143.04 34.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.6 p -68.07 -50.52 54.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -123.05 168.66 12.08 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.7 OUTLIER -66.53 -55.04 17.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' C ' ' O ' ' A' ' 23' ' ' ASN . 7.3 m-20 -36.86 -48.11 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 22.7 mtt180 -61.02 -45.72 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.831 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD13 ' CD1' ' A' ' 20' ' ' PHE . 17.9 tp -64.0 -52.73 58.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.8 t -50.42 -55.68 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -56.76 -44.69 82.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 20.3 t60 -54.68 -51.64 64.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 66.2 mt-30 -48.17 -38.98 19.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.3 mmtp -40.78 -46.18 2.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 5.0 mtt -59.01 -41.75 88.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -64.03 -36.95 85.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 p -75.96 122.45 24.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.463 HG12 ' HB3' ' A' ' 37' ' ' SER . 47.9 t -96.82 -43.14 12.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.099 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 35' ' ' VAL . 10.1 ptmm? 38.34 35.93 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.463 ' HB3' HG12 ' A' ' 35' ' ' VAL . 23.3 t -123.31 42.93 3.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 177.49 176.87 45.9 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.462 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.8 3.21 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.694 2.263 . . . . 0.0 112.377 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.9 t -128.48 119.19 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 57.7 p -119.53 -44.32 2.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.896 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.118 -0.824 . . . . 0.0 112.507 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.6 p -111.19 45.34 1.19 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.8 m -81.91 44.93 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.56 93.2 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.456 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.5 m -82.64 92.44 7.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -122.65 -62.41 1.36 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.35 -126.54 3.85 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.494 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -171.09 172.72 5.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.91 0.386 . . . . 0.0 110.913 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 11.3 mptt -97.63 143.97 27.13 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.551 0.691 . . . . 0.0 110.892 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -6.63 19.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.644 2.23 . . . . 0.0 112.349 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -112.28 131.16 55.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.961 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 79.4 p -140.96 153.04 45.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 43.7 t -106.15 128.26 53.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.03 32.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.072 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.5 mm-40 -132.97 -56.89 0.93 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.7 p -109.31 -4.36 16.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.917 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.78 42.18 10.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.425 ' HG3' ' N ' ' A' ' 19' ' ' THR . 10.5 tp10 -95.87 149.28 21.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' HG3' ' A' ' 18' ' ' GLU . 72.4 p -104.6 138.36 41.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.112 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -127.5 158.16 38.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.867 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 88.4 p -86.6 -39.54 16.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -114.93 158.53 21.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.433 ' CG ' ' N ' ' A' ' 24' ' ' ASN . 1.3 p-10 -71.17 -48.15 53.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' ' CG ' ' A' ' 23' ' ' ASN . 16.1 t-20 -41.73 -57.33 2.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 21.1 mtp85 -50.93 -48.26 60.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 26.2 tp -56.17 -52.64 63.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.2 t -54.35 -61.05 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -53.23 -38.18 62.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.917 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 14.5 t60 -64.98 -48.33 74.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -46.48 -34.37 4.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.655 ' O ' HG13 ' A' ' 35' ' ' VAL . 4.9 mtpm? -58.95 -38.71 79.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 54.4 mtt -56.38 -13.74 2.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 68.7 m-70 -98.41 -34.62 10.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.859 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 34' ' ' THR . 1.4 t -87.18 25.67 1.32 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 HG13 ' O ' ' A' ' 31' ' ' LYS . 4.5 m -92.5 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.51 45.39 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.5 t -102.5 38.25 1.74 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.66 -94.96 0.15 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.506 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 166.48 27.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.667 2.244 . . . . 0.0 112.342 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 57.0 p -90.51 150.16 21.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 42' ' ' GLY . 23.7 m -135.93 114.64 11.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 41' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.493 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 t -86.62 113.17 22.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.897 0.38 . . . . 0.0 110.849 -179.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -112.44 102.18 10.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.69 -117.35 0.4 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.3 p -85.59 120.76 27.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 t -63.65 -57.78 8.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.99 54.68 0.42 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.517 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 62.1 mt-10 -120.13 41.51 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.907 0.384 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 mmtm -51.25 148.31 8.65 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.895 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.422 ' HG2' ' CD2' ' A' ' 11' ' ' TYR . 53.3 Cg_endo -69.82 -17.77 37.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.252 . . . . 0.0 112.306 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CD2' ' HG2' ' A' ' 10' ' ' PRO . 67.6 m-85 -117.84 123.79 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.94 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.0 p -140.86 120.68 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.4 t -67.95 127.28 32.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.23 23.26 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.141 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.8 mt-10 -126.48 -60.07 1.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.862 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.1 p -100.72 -3.85 29.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp 61.76 43.33 9.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.921 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -98.85 136.58 38.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.3 p -95.46 141.37 29.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.118 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -130.69 145.61 51.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 47.0 t -78.21 -38.13 43.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.2 t0 -116.44 165.66 12.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -76.19 -50.21 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 -179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -38.9 -58.34 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 75.9 mtt-85 -50.15 -45.56 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -63.78 -56.95 11.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 93.3 t -49.89 -53.79 9.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 45.7 mm-40 -63.24 -38.83 92.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 38.7 t60 -59.62 -47.34 85.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -53.71 -32.2 51.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.906 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.7 mttt -67.61 -27.43 66.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.0 tpp -73.12 -26.18 61.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.88 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 21.4 m-70 -65.86 -36.32 83.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.3 p -49.5 109.99 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 35' ' ' VAL . 9.0 p -125.55 120.64 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.154 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 9.8 ptpt -111.94 146.98 36.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.907 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 65.3 m -87.59 -52.18 5.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.833 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.95 -158.33 8.01 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.726 . . . . 0.0 112.48 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 124.57 11.22 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.336 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -159.95 151.39 19.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.9 m -150.58 154.69 38.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.454 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -113.67 139.85 48.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.928 0.394 . . . . 0.0 110.869 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.3 m -105.27 -45.22 4.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.849 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.24 48.33 2.24 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.453 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.5 m -106.39 116.48 32.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.909 0.385 . . . . 0.0 110.896 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -104.67 84.22 2.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.59 -164.57 2.35 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -128.69 162.18 27.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.905 0.383 . . . . 0.0 110.878 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 57.7 mmtt -142.06 151.6 59.42 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.612 0.72 . . . . 0.0 110.876 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -9.43 26.11 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.559 ' CE1' ' HB3' ' A' ' 23' ' ' ASN . 94.3 m-85 -116.33 105.67 12.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.9 m -125.54 130.06 50.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 33.8 t -78.38 127.48 32.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.833 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.44 23.19 1.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.105 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.559 ' HG2' ' CE1' ' A' ' 33' ' ' HIS . 2.6 tp10 -123.12 -54.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 27.5 p -108.08 -4.97 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.3 mmtt 62.26 47.89 5.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -104.09 137.66 41.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.884 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.3 p -93.44 143.24 26.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.545 ' CD1' HD13 ' A' ' 26' ' ' LEU . 58.2 m-85 -137.17 142.98 42.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.3 p -68.13 -52.13 38.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.837 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -112.21 172.67 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.559 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 28.5 p-10 -79.3 -44.66 21.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -40.74 -45.91 2.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -63.87 -41.1 97.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.545 HD13 ' CD1' ' A' ' 20' ' ' PHE . 38.7 tp -65.86 -44.32 85.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -55.19 -62.32 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -59.68 -41.41 90.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -52.92 -51.71 60.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.5 mt-30 -47.41 -36.79 10.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.1 mmtp -46.97 -32.63 4.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.422 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 7.8 ptp -59.11 -39.47 82.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 15' ' ' GLU . 95.2 m-70 -71.21 -35.17 71.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 68.1 p -69.95 104.96 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.511 HG23 ' H ' ' A' ' 37' ' ' SER . 3.2 m -94.56 -24.37 4.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' VAL . 39.4 tttt 34.44 50.64 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.511 ' H ' HG23 ' A' ' 35' ' ' VAL . 1.3 t 71.98 44.42 0.47 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.64 -94.96 0.11 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.468 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -50.71 0.44 Allowed 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.246 . . . . 0.0 112.371 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 99.9 p -163.06 120.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.826 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.1 p -71.1 148.93 46.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.131 -0.816 . . . . 0.0 112.505 179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.62 171.3 5.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.868 0.366 . . . . 0.0 110.868 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -50.83 102.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.62 171.42 34.42 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.3 p -100.32 -28.4 12.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.6 m -90.28 117.29 28.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.45 -52.09 3.67 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -77.04 130.34 37.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HD3' ' C ' ' A' ' 20' ' ' PHE . 62.9 mttm -145.8 147.32 32.18 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.604 0.716 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -25.2 28.91 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.311 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 75.7 m-85 -97.64 119.58 36.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.3 m -136.87 148.82 47.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 14.3 t -95.71 125.77 40.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.87 31.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -128.32 -53.04 1.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 11.5 p -112.5 -2.69 14.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.864 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 mmmm 67.0 46.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -103.48 161.36 13.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.7 p -121.69 156.37 33.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.147 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.434 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 51.5 m-85 -145.85 136.99 24.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.7 t -57.21 -50.52 72.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -114.75 175.13 5.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.2 -45.33 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -39.69 -50.48 2.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.907 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 20.2 mtt-85 -60.49 -40.03 89.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.0 tp -62.59 -49.95 73.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.956 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 96.8 t -53.22 -53.48 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.132 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -57.18 -39.71 75.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -65.62 -58.26 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.818 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -43.7 -32.23 0.96 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? -65.92 -41.37 91.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 4.9 mmt -56.27 -30.97 63.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -66.06 -26.93 67.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.5 t -45.05 155.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.141 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.7 t -145.71 106.49 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -132.18 87.51 2.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.7 t -76.12 -48.66 19.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.04 143.88 7.72 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.453 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -27.27 26.83 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 2.232 . . . . 0.0 112.359 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.0 t -77.5 103.02 7.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.4 t -114.52 118.37 33.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.847 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.48 -179.993 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.5 t -125.48 98.62 5.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.359 . . . . 0.0 110.87 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.8 m -107.89 168.18 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.52 135.22 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.467 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.3 p -124.45 -47.43 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.893 0.378 . . . . 0.0 110.83 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.2 p 40.87 43.63 1.76 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 82.58 148.01 7.06 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -100.97 169.04 9.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.9 0.381 . . . . 0.0 110.899 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.479 ' CG ' ' HD2' ' A' ' 10' ' ' PRO . 15.3 ttmt -155.35 141.09 12.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.572 0.701 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.479 ' HD2' ' CG ' ' A' ' 9' ' ' LYS . 53.8 Cg_endo -69.78 -7.43 21.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.652 2.235 . . . . 0.0 112.341 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 23' ' ' ASN . 21.6 m-85 -124.16 86.01 2.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 p -118.37 159.44 23.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.844 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 6.1 t -104.82 163.87 12.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.879 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -108.28 -27.0 10.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.078 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 21.6 mp0 -79.32 -64.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.3 p -91.49 -19.28 22.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 63.6 50.26 2.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -103.78 140.27 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 62.9 p -89.17 142.42 27.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.449 ' C ' ' HD3' ' A' ' 9' ' ' LYS . 67.6 m-85 -132.83 134.72 45.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 89.3 p -90.22 31.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -173.84 124.25 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.486 ' HB2' ' CE1' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -50.38 -45.87 55.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -47.66 -57.25 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 79.4 mtt-85 -50.56 -46.26 57.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 15.8 tp -62.61 -44.81 95.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 23' ' ' ASN . 73.8 t -57.28 -66.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 5.5 mm-40 -57.93 -29.9 65.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.457 ' O ' ' N ' ' A' ' 32' ' ' MET . 13.1 t60 -64.27 -57.52 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 93.3 mt-30 -38.61 -42.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 31' ' ' LYS . 12.2 mptt -58.2 -41.77 84.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 29' ' ' HIS . 41.6 mtt -47.4 -21.11 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.5 m-70 -84.49 22.68 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.1 p -96.84 105.93 18.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.129 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.8 t -136.78 146.51 28.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 31.8 tttm -148.66 111.95 4.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 60.8 p -152.64 151.19 30.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.867 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -67.86 -91.75 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.432 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 149.05 66.3 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.6 t -86.75 168.25 13.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 73.3 p -127.17 146.31 50.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.503 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -121.52 173.08 7.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.917 0.389 . . . . 0.0 110.843 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -57.76 102.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.859 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.99 -58.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 95.5 p -82.25 47.0 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.849 0.357 . . . . 0.0 110.879 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.4 m -63.17 128.94 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.815 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.65 153.92 36.07 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.457 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' C ' ' HE3' ' A' ' 9' ' ' LYS . 6.7 mm-40 -76.13 80.55 2.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.931 0.396 . . . . 0.0 110.908 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HE3' ' C ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -102.11 143.89 27.51 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.583 0.706 . . . . 0.0 110.868 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -5.95 17.41 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.644 2.23 . . . . 0.0 112.353 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -119.7 114.93 22.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 15.1 p -131.28 139.73 49.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 13.9 t -90.2 130.95 36.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.93 26.02 2.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -124.5 -48.91 1.8 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.865 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 25.4 p -116.31 -3.6 11.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 26.7 mmmt 61.64 54.7 2.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -106.55 167.83 9.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.92 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.4 p -119.67 157.08 29.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.142 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.403 ' CE1' HD12 ' A' ' 26' ' ' LEU . 76.8 m-85 -148.68 145.84 27.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.831 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 54.0 p -83.9 -13.59 53.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.859 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -148.82 166.75 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.864 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.491 ' O ' ' N ' ' A' ' 26' ' ' LEU . 63.6 t30 -73.91 -55.13 6.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.411 ' HA ' ' CG1' ' A' ' 27' ' ' VAL . 17.2 t30 -37.72 -41.37 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 55.8 mtt85 -67.51 -41.03 85.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.491 ' N ' ' O ' ' A' ' 23' ' ' ASN . 9.0 tp -72.86 -56.18 5.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.411 ' CG1' ' HA ' ' A' ' 24' ' ' ASN . 9.4 p -49.44 -38.36 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.151 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . 5.3 mm100 -79.59 -16.33 56.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.921 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 29' ' ' HIS . 1.5 t60 -90.82 -29.78 17.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -57.92 -56.6 19.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 28' ' ' GLN . 0.0 OUTLIER -50.04 -36.85 30.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.0 ttp -45.6 -37.29 5.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.891 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -68.59 -36.6 78.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.8 m -67.97 139.15 56.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.15 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 60.2 t -88.6 133.9 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.154 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -123.93 82.93 2.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.877 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.3 p -89.3 -57.64 2.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.13 146.23 18.05 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.79 -3.63 12.43 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.694 2.262 . . . . 0.0 112.344 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.1 m -72.72 97.65 2.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -110.76 151.66 27.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.491 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_