data_2ytf_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 2ytf _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 ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -16.26 37.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.378 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 20.4 m-85 -130.12 124.76 33.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -132.19 137.09 47.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.93 179.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 t -120.61 -27.39 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.68 -54.95 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -97.62 -13.35 21.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 60.23 45.18 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 45.9 tttt -85.68 153.67 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 20' ' ' LYS . . . -90.05 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 m-85 -139.68 152.32 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -86.16 -51.8 6.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -107.86 146.24 32.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 4.8 tptm -63.1 -47.71 81.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -46.45 -53.25 11.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.76 -41.16 81.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.22 -55.54 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.2 mt -45.91 -51.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.9 -31.09 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 44.9 t60 -75.66 -27.99 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.889 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -39.91 5.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -97.69 130.78 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -136.46 127.8 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.39 176.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -115.95 -30.38 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -85.4 -57.75 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -98.1 -9.02 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 54.2 49.08 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -85.89 152.89 22.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.99 136.68 32.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 28' ' ' LEU . 55.9 m-85 -134.3 147.64 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -84.55 -45.2 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -113.18 141.35 47.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 12.4 tptp -58.03 -55.0 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -42.58 -49.1 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -57.68 -45.37 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -56.74 -55.79 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -50.46 -45.48 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.66 -17.14 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -94.73 -50.47 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -38.61 7.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.374 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.7 m-85 -108.71 130.05 55.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -138.04 137.44 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.8 168.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -106.33 -28.0 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -87.82 -67.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.69 -15.09 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 62.67 39.42 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.6 145.94 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.0 139.82 30.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.63 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -112.76 158.27 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.7 ttpt -67.02 -52.5 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -44.34 -51.44 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -58.06 -42.96 86.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -58.44 -50.05 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt -50.68 -48.62 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.97 -29.46 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.0 t60 -80.61 -53.41 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' CB ' ' A' ' 21' ' ' ALA . 69.7 mmtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.06 30.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -122.95 127.88 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -139.7 134.28 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.17 175.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -116.53 -28.98 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.53 -60.39 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -94.41 -13.52 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 58.16 54.87 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.97 147.16 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.432 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -90.91 124.91 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 28' ' ' LEU . 68.9 m-85 -120.26 174.86 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.81 -47.48 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -119.4 161.03 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -67.16 -56.53 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -42.26 -52.4 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -53.23 -52.3 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 22' ' ' PHE . 20.4 tp -57.27 -55.04 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.57 -51.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.66 -30.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 23.4 t60 -80.77 -56.89 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' HIS . 51.2 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.565 0.698 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -25.02 29.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 52.4 m-85 -120.7 127.87 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -137.62 132.51 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.27 173.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 p -113.06 -30.41 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -86.54 -65.07 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.78 -15.95 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 59.49 52.03 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -90.82 158.25 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 142.37 27.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -141.27 177.04 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 1.4 t30 -112.16 -51.94 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 p -109.94 148.14 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 2.7 tptm -58.21 -51.76 68.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -43.5 -56.97 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -51.1 -48.21 61.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.6 -48.91 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.62 -53.39 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.87 -25.86 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -85.28 -29.11 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -27.88 26.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 30.6 m-85 -114.03 125.5 54.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.37 139.96 47.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.44 170.26 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.1 p -108.66 -28.51 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -82.11 -66.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -91.12 -17.44 26.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 66.25 42.51 3.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -79.16 149.19 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 130.91 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 28' ' ' LEU . 59.6 m-85 -127.1 150.09 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.27 -48.7 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.9 p -107.8 161.47 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.27 -57.92 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.5 p -43.39 -50.26 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -55.65 -46.01 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -63.65 -50.05 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.7 mt -51.68 -46.69 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.35 -26.68 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 17.3 t60 -79.0 -59.13 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.8 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.8 -38.12 8.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.8 m-85 -98.1 134.27 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -139.96 146.86 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.43 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -117.17 -27.28 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.46 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -88.47 -7.99 55.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 54.65 44.04 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -83.16 152.22 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.17 141.22 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 20' ' ' LYS . 82.6 m-85 -139.98 130.53 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -58.03 -51.14 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -118.84 153.29 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 56.6 tttt -58.05 -53.3 59.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -43.5 -41.38 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.32 -47.1 80.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' ' 22' ' ' PHE . 22.7 tp -65.11 -36.71 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.85 -49.33 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.65 -31.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 34.2 t60 -77.11 -55.17 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 52.7 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.563 0.697 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.77 -22.55 31.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.421 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.1 m-85 -128.05 114.21 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -123.59 133.87 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -57.86 168.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m -108.69 -27.75 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -84.93 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -88.02 -17.51 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 66.6 32.58 7.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.58 164.19 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.72 131.18 52.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD2' HD12 ' A' ' 28' ' ' LEU . 68.1 m-85 -132.21 158.47 41.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -93.05 -46.39 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -112.01 151.68 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 21.6 ttpt -68.1 -57.86 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 p -38.61 -46.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.93 -40.49 95.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 ' CD2' ' A' ' 22' ' ' PHE . 21.3 tp -63.46 -52.28 62.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -49.44 -51.42 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.06 -25.23 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 t60 -77.85 -51.36 10.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 7.4 mptt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -31.83 19.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 68.2 m-85 -103.02 122.17 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -139.64 131.84 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 165.93 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 t -104.7 -24.13 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -88.81 -69.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -84.93 -15.18 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 61.83 43.71 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.66 150.2 29.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.61 138.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.46 155.95 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -94.71 -49.03 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -109.45 145.83 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 26.1 ttmt -59.96 -56.33 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -41.92 -54.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.17 -52.71 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.8 -55.4 34.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -42.66 -53.36 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.32 -34.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' GLN . 16.4 t60 -75.41 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.1 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CE ' ' HB2' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.536 0.684 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.75 -28.42 25.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 13.2 m-85 -141.97 153.51 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.471 ' HB2' ' CE ' ' A' ' 11' ' ' LYS . 34.1 tt0 -140.25 149.69 43.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.52 174.83 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -111.8 -31.21 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -85.41 -64.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.9 -8.09 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 55.61 43.14 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -74.45 158.14 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.13 129.93 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.8 m-85 -125.28 176.78 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.5 -51.0 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -112.53 149.74 32.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -58.9 -52.04 67.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -45.18 -56.44 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -52.31 -43.64 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 22' ' ' PHE . 18.4 tp -59.58 -55.6 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.1 mt -49.07 -50.71 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.48 -27.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' GLN . 37.0 t60 -82.16 -57.41 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -23.55 30.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -134.13 133.97 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -136.23 142.72 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -65.61 169.83 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -110.67 -30.42 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.26 -66.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.51 -19.39 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 68.13 46.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -83.69 155.19 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 28' ' ' LEU . 44.3 m-85 -134.04 168.26 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -105.66 -44.95 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 p -112.11 147.26 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -64.86 -57.63 8.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -41.11 -44.58 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -63.59 -42.98 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 22' ' ' PHE . 56.9 tp -62.48 -55.07 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -43.1 -51.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.54 -34.18 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.85 -23.04 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.38 26.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 30.3 m-85 -124.44 133.65 53.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.02 145.6 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.22 175.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -118.91 -22.86 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -86.84 -16.12 37.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 62.24 55.01 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.65 150.63 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.28 139.25 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 55.0 m-85 -134.01 176.09 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.06 -49.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 p -113.46 148.67 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 12.1 ttmt -66.1 -50.71 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -44.56 -45.54 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.34 -42.28 96.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 33.7 tp -60.92 -56.59 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -38.88 -54.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.15 -32.37 50.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 42.9 t60 -79.55 -18.38 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.595 0.712 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.7 24.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 46.0 m-85 -122.07 127.37 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.0 tm-20 -135.54 124.8 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 1.8 t -47.16 175.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -120.72 -26.04 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.98 -58.6 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.55 -21.63 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 70.55 48.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 162.17 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' A' ' 28' ' ' LEU . 77.5 m-85 -114.32 172.06 7.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.67 -49.34 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -115.86 141.04 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.9 ttpm? -54.86 -52.6 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -43.15 -47.91 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -63.06 -42.5 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 22' ' ' PHE . 33.4 tp -62.55 -52.43 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.9 mt -49.07 -50.86 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.91 -31.91 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.4 t60 -75.91 -56.66 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mptt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.53 0.681 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.81 -34.98 13.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.499 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 21.7 m-85 -111.47 127.97 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.97 138.53 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.82 169.72 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -111.43 -30.91 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -58.9 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.27 -17.92 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 64.44 46.11 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -85.6 146.88 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.32 127.97 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' HD13 ' A' ' 28' ' ' LEU . 57.4 m-85 -121.67 162.28 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.95 -47.36 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.5 p -113.25 150.22 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -63.63 -50.58 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -47.3 -45.55 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 22' ' ' PHE . 26.1 tp -64.6 -53.7 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.41 -45.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.85 -34.14 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' GLN . 15.2 t60 -73.95 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.7 -28.2 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -120.56 126.35 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -138.92 135.69 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.28 178.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 t -123.29 -22.08 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.17 -61.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.53 -11.85 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 64.65 39.63 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.43 146.89 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -89.82 143.38 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CD2' HD11 ' A' ' 28' ' ' LEU . 78.8 m-85 -137.57 176.68 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -109.37 -45.37 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.7 p -117.29 159.43 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.18 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 m -39.73 -42.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.88 -51.51 67.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 22' ' ' PHE . 46.6 tp -61.85 -44.64 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.78 -50.18 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.66 -23.33 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -92.25 -18.47 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.578 0.704 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 52.8 Cg_endo -69.78 -12.55 33.08 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.3 m-85 -134.71 125.21 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -138.75 138.0 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.59 174.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -118.3 -26.63 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -84.49 -56.37 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -99.8 -15.57 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 63.74 54.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -87.84 171.44 10.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.2 134.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.59 168.41 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -102.37 -45.16 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -114.27 159.96 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmt -74.31 -54.24 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 p -42.97 -45.51 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -63.02 -45.28 93.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' HIS . 34.9 tp -59.83 -54.21 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mt -41.83 -50.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.26 -30.74 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 57.1 t60 -80.71 -22.33 40.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.76 -33.43 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.2 m-85 -92.26 126.21 37.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -140.04 129.24 23.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.97 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.8 m -122.42 -29.93 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -88.33 -59.17 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -90.79 -11.81 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 57.3 47.01 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -89.23 155.45 19.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 147.49 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 28' ' ' LEU . 52.4 m-85 -141.57 155.55 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -108.62 141.23 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.01 -48.92 77.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -49.2 -49.0 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -55.67 -46.9 77.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 22' ' ' PHE . 18.4 tp -54.21 -54.6 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.494 HD11 ' CD ' ' A' ' 25' ' ' LYS . 56.7 mt -50.41 -51.51 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -55.62 -18.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -94.11 -41.95 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.69 -38.81 7.45 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 29.4 m-85 -89.63 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -125.38 135.6 52.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.42 179.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -117.24 -30.3 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.06 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -92.4 -12.62 31.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 59.52 51.43 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -85.51 152.78 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.31 123.04 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 28' ' ' LEU . 76.4 m-85 -121.11 142.64 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -79.53 -47.49 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.1 p -115.45 143.52 45.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 38.4 tptt -58.11 -51.07 71.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -42.64 -47.16 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.21 -48.26 80.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 22' ' ' PHE . 30.1 tp -54.83 -53.01 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.2 mt -51.07 -47.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.09 -17.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -94.87 -47.76 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -24.21 29.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 37.7 m-85 -110.85 113.33 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.73 132.29 46.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.55 -178.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.4 m -122.4 -29.24 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -87.3 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.74 -15.71 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 62.18 53.5 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.1 156.44 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.49 137.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 91.3 m-85 -136.12 158.55 44.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.87 -47.61 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.5 p -117.98 146.82 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 tppt? -57.15 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -39.97 -48.1 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -60.58 -45.56 93.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -59.05 -55.19 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.32 -52.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.3 t -54.54 -22.23 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -90.87 -55.21 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.549 0.69 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.76 -21.45 33.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 39.5 m-85 -122.35 123.21 40.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -139.28 146.82 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.75 175.61 4.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.8 p -118.76 -32.06 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.35 -52.54 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.19 -15.92 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 62.36 42.56 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 16.1 tttp -83.89 154.05 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.25 143.12 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.1 m-85 -138.77 159.44 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.94 -47.24 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 30.2 p -122.63 164.19 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 21.1 tptp -74.56 -41.38 60.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 p -51.8 -41.37 61.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -71.11 -43.03 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.7 tp -60.13 -50.21 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.92 -42.61 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.57 -24.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 25.4 t60 -85.19 -54.26 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.4 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -98.26 86.09 3.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.33 -117.94 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -95.55 86.95 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -70.57 -48.63 54.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.52 73.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -111.64 139.6 46.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.32 174.24 13.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.59 161.11 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -97.11 153.35 38.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -16.26 37.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.378 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.553 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 20.4 m-85 -130.12 124.76 33.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -132.19 137.09 47.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.93 179.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 t -120.61 -27.39 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.68 -54.95 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -97.62 -13.35 21.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 60.23 45.18 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 45.9 tttt -85.68 153.67 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' N ' ' HG2' ' A' ' 20' ' ' LYS . . . -90.05 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.552 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 m-85 -139.68 152.32 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -86.16 -51.8 6.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -107.86 146.24 32.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.553 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 4.8 tptm -63.1 -47.71 81.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -46.45 -53.25 11.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.76 -41.16 81.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.5 tp -63.22 -55.54 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.2 mt -45.91 -51.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.9 -31.09 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 44.9 t60 -75.66 -27.99 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.12 -37.04 80.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -57.59 -50.47 73.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.45 HG23 ' N ' ' A' ' 35' ' ' HIS . 2.9 t -42.9 -30.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.45 ' N ' HG23 ' A' ' 34' ' ' THR . 64.1 m-70 -76.05 57.83 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.0 p -129.86 155.11 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.08 -153.32 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -141.78 141.9 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 47.46 54.78 16.03 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.71 -44.36 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -104.35 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.2 146.22 4.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 155.54 65.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 m -71.87 -57.91 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m 60.57 42.35 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.464 -179.994 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -129.78 173.03 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -112.84 -61.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.79 -120.64 8.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 40.8 42.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 t -73.8 132.56 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.51 70.52 1.05 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.6 p -56.17 163.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.93 104.03 2.0 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -144.33 108.52 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.69 159.76 34.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.563 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -39.91 5.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.563 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -97.69 130.78 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -136.46 127.8 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.39 176.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -115.95 -30.38 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 25.5 mm-40 -85.4 -57.75 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -98.1 -9.02 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 54.2 49.08 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -85.89 152.89 22.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.99 136.68 32.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 28' ' ' LEU . 55.9 m-85 -134.3 147.64 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -84.55 -45.2 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -113.18 141.35 47.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 12.4 tptp -58.03 -55.0 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -42.58 -49.1 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -57.68 -45.37 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 22' ' ' PHE . 41.7 tp -56.74 -55.79 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -50.46 -45.48 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.66 -17.14 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -94.73 -50.47 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -42.58 -42.12 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.8 ptt85 -50.98 -39.26 55.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 65.6 p -44.73 -39.52 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.44 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 96.8 m-70 -68.33 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -69.14 141.37 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -36.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -81.92 44.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -138.1 143.8 40.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.52 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' C ' ' HD2' ' A' ' 43' ' ' PRO . 23.5 t -95.48 -55.73 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -76.14 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.409 ' HD2' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.76 -176.59 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -101.69 -58.84 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -98.55 157.22 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.47 -179.951 . . . . . . . . 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 -0.352 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -65.58 -58.73 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 0.0 110.831 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -66.44 -43.94 84.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.73 44.06 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -84.38 81.62 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -157.6 173.8 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.76 158.33 28.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 15.0 t -153.93 128.23 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.96 74.66 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.05 135.85 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 144.04 27.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.461 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -38.61 7.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.374 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.7 m-85 -108.71 130.05 55.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -138.04 137.44 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.8 168.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -106.33 -28.0 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -87.82 -67.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.69 -15.09 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 62.67 39.42 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.6 145.94 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.0 139.82 30.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.63 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -112.76 158.27 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.556 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.7 ttpt -67.02 -52.5 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 m -44.34 -51.44 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -58.06 -42.96 86.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 26.2 tp -58.44 -50.05 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 54.2 mt -50.68 -48.62 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.97 -29.46 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 34' ' ' THR . 42.0 t60 -80.61 -53.41 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.7 mt-30 -37.07 -42.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 35' ' ' HIS . 3.8 mtt180 -52.38 -45.47 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.426 ' N ' ' O ' ' A' ' 31' ' ' HIS . 3.7 t -43.13 -22.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' ARG . 91.8 m-70 -85.5 60.91 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.6 p -119.52 -45.68 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.77 179.34 17.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -142.88 166.97 23.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -98.31 161.02 26.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 82.78 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.0 p -114.52 177.97 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.28 -160.7 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.06 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m 62.27 46.31 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -97.91 86.76 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.522 -179.968 . . . . . . . . 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 -0.362 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.9 m -72.34 147.12 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.818 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 25.1 p -37.83 153.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 -135.03 8.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -67.1 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -156.55 147.15 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 -69.09 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 p -47.25 167.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.19 159.5 15.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.8 102.89 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.432 ' HG3' ' CB ' ' A' ' 21' ' ' ALA . 69.7 mmtt -73.7 146.52 85.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.06 30.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -122.95 127.88 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -139.7 134.28 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.17 175.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -116.53 -28.98 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.53 -60.39 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -94.41 -13.52 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 58.16 54.87 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.97 147.16 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.432 ' CB ' ' HG3' ' A' ' 11' ' ' LYS . . . -90.91 124.91 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.527 ' CD2' HD11 ' A' ' 28' ' ' LEU . 68.9 m-85 -120.26 174.86 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.81 -47.48 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -119.4 161.03 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -67.16 -56.53 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -42.26 -52.4 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -53.23 -52.3 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' CD2' ' A' ' 22' ' ' PHE . 20.4 tp -57.27 -55.04 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.57 -51.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.66 -30.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 23.4 t60 -80.77 -56.89 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' HIS . 51.2 mt-30 -36.38 -48.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -39.39 -46.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -42.98 -42.52 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -70.91 -60.45 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -58.08 156.22 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.29 -134.68 9.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -94.84 94.4 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.22 155.35 72.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.5 3.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.4 p -121.74 137.55 54.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.32 75.63 0.58 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -34.43 14.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -112.1 91.8 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 p -154.44 121.65 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.49 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -117.28 -58.11 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -74.87 168.83 19.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.73 4.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -69.09 143.2 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -84.17 114.99 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 124.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -91.88 93.18 8.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.83 68.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -90.01 113.23 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -69.79 143.8 92.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.565 0.698 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -25.02 29.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 52.4 m-85 -120.7 127.87 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -137.62 132.51 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.27 173.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 p -113.06 -30.41 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -86.54 -65.07 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.78 -15.95 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 59.49 52.03 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -90.82 158.25 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.51 142.37 27.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -141.27 177.04 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 1.4 t30 -112.16 -51.94 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 p -109.94 148.14 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.497 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 2.7 tptm -58.21 -51.76 68.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -43.5 -56.97 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -51.1 -48.21 61.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.6 -48.91 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.62 -53.39 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.87 -25.86 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.443 ' O ' ' CG2' ' A' ' 34' ' ' THR . 34.2 t60 -85.28 -29.11 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.64 -42.31 78.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -45.07 -51.36 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.443 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 6.7 t -42.92 -32.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -75.57 -54.45 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.8 t -114.77 105.06 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.48 -72.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -101.64 101.1 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -91.84 140.36 24.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.22 69.18 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' GLY . 1.4 t -141.65 159.22 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -34.41 -73.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.454 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.66 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.3 p -171.43 168.15 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.8 m 53.17 42.2 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.432 -179.932 . . . . . . . . 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 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -62.78 116.11 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -46.98 -43.72 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.96 -43.06 1.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -53.56 -43.86 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -62.31 151.53 36.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.97 125.0 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.4 p -123.96 95.98 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.25 51.54 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 11.1 mt-10 -129.57 37.52 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.412 ' HE3' ' C ' ' A' ' 10' ' ' GLU . 0.6 OUTLIER -87.09 154.42 54.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.465 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -27.88 26.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 30.6 m-85 -114.03 125.5 54.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.37 139.96 47.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.44 170.26 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.1 p -108.66 -28.51 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -82.11 -66.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -91.12 -17.44 26.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 66.25 42.51 3.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -79.16 149.19 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.48 130.91 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.55 ' CD2' HD12 ' A' ' 28' ' ' LEU . 59.6 m-85 -127.1 150.09 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.27 -48.7 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.9 p -107.8 161.47 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.27 -57.92 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.5 p -43.39 -50.26 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -55.65 -46.01 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.55 HD12 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -63.65 -50.05 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.7 mt -51.68 -46.69 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.35 -26.68 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' THR . 17.3 t60 -79.0 -59.13 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.8 mt-30 -34.09 -45.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -50.38 -47.23 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.1 t -42.99 -39.8 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' N ' ' CG2' ' A' ' 34' ' ' THR . 74.5 m-70 -62.8 -42.45 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -86.28 128.58 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.33 -62.53 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.95 102.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -136.28 160.36 67.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 p -94.5 179.31 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.37 -95.44 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.0 t -174.97 152.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.5 m -93.44 171.26 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.439 179.965 . . . . . . . . 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 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m 38.96 42.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -100.67 96.84 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.5 77.77 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 143.89 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -49.23 148.17 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.64 87.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -78.36 97.84 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.43 94.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -72.53 169.54 16.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -112.73 160.38 30.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.566 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.8 -38.12 8.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.8 m-85 -98.1 134.27 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -139.96 146.86 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -64.43 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -117.17 -27.28 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.46 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -88.47 -7.99 55.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 54.65 44.04 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' HG2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -83.16 152.22 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.17 141.22 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' CE2' ' HG2' ' A' ' 20' ' ' LYS . 82.6 m-85 -139.98 130.53 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -58.03 -51.14 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -118.84 153.29 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 56.6 tttt -58.05 -53.3 59.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 63.9 p -43.5 -41.38 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.32 -47.1 80.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.436 HD12 ' CE2' ' A' ' 22' ' ' PHE . 22.7 tp -65.11 -36.71 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 81.8 mt -60.85 -49.33 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.2 t -58.65 -31.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 34.2 t60 -77.11 -55.17 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 52.7 mt-30 -35.55 -50.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -40.94 -46.77 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.413 ' HG1' ' N ' ' A' ' 35' ' ' HIS . 70.5 p -42.98 -40.33 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.413 ' N ' ' HG1' ' A' ' 34' ' ' THR . 78.7 m-70 -74.1 -47.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.8 p -80.22 99.85 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.62 99.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -134.37 143.06 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -102.19 143.72 27.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.76 6.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -84.66 175.74 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.58 -108.78 1.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 1.86 4.06 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -76.82 51.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -123.54 -50.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.479 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.8 p -79.31 120.62 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -128.57 136.61 50.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.73 128.68 2.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 p -88.99 125.68 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -56.54 -60.4 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.11 142.46 7.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -92.45 45.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.16 103.83 0.56 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.79 170.04 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.4 mmtm -80.56 154.84 73.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.421 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.77 -22.55 31.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.421 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.1 m-85 -128.05 114.21 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -123.59 133.87 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -57.86 168.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m -108.69 -27.75 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -84.93 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -88.02 -17.51 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 66.6 32.58 7.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.58 164.19 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.72 131.18 52.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD2' HD12 ' A' ' 28' ' ' LEU . 68.1 m-85 -132.21 158.47 41.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -93.05 -46.39 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -112.01 151.68 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 21.6 ttpt -68.1 -57.86 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 p -38.61 -46.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.93 -40.49 95.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 ' CD2' ' A' ' 22' ' ' PHE . 21.3 tp -63.46 -52.28 62.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -49.44 -51.42 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.06 -25.23 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 t60 -77.85 -51.36 10.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -43.11 -41.02 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -51.55 -38.96 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.1 p -43.7 -35.14 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' THR . 12.3 m-70 -86.02 61.16 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.2 t -33.98 142.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.44 61.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -115.0 55.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -123.01 73.43 46.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 86.27 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' GLY . 4.3 t -127.76 134.56 49.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -33.04 96.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.81 162.31 42.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -127.9 176.19 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.4 t -49.7 -54.36 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -142.72 164.21 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -164.78 151.21 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 116.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -121.69 171.96 8.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -80.11 144.09 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.91 58.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 p -76.82 -57.09 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.73 -179.8 16.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -133.1 142.93 48.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.455 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 7.4 mptt -96.15 143.04 25.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.46 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -31.83 19.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 68.2 m-85 -103.02 122.17 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -139.64 131.84 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 165.93 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 t -104.7 -24.13 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -88.81 -69.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -84.93 -15.18 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 61.83 43.71 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.66 150.2 29.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.61 138.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -135.46 155.95 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -94.71 -49.03 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -109.45 145.83 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.554 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 26.1 ttmt -59.96 -56.33 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -41.92 -54.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.17 -52.71 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 19.6 tp -56.8 -55.4 34.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -42.66 -53.36 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.32 -34.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.499 ' O ' ' CG2' ' A' ' 34' ' ' THR . 16.4 t60 -75.41 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.1 mt-30 -37.41 -44.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -48.84 -45.35 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.499 ' CG2' ' O ' ' A' ' 31' ' ' HIS . 11.6 t -45.65 -27.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -80.15 -55.02 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.2 p -70.58 132.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.82 -175.73 19.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.6 tp10 -132.85 162.38 31.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 31.58 53.85 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.3 Cg_endo -69.89 167.56 24.25 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.3 t -36.22 101.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.31 163.34 26.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 102.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -39.31 143.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 m -83.3 -46.3 12.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.482 -179.991 . . . . . . . . 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 -0.314 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -131.1 86.2 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m -127.24 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.4 144.03 3.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -141.88 170.34 15.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -53.55 112.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.54 135.76 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.2 p -65.88 -53.66 36.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.1 67.65 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -104.5 80.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' CE ' ' HB2' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -161.59 140.39 7.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.536 0.684 . . . . 0.0 110.953 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.43 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.75 -28.42 25.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 13.2 m-85 -141.97 153.51 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.471 ' HB2' ' CE ' ' A' ' 11' ' ' LYS . 34.1 tt0 -140.25 149.69 43.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.52 174.83 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -111.8 -31.21 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -85.41 -64.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.9 -8.09 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 55.61 43.14 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -74.45 158.14 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.13 129.93 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.449 ' CD1' HD12 ' A' ' 28' ' ' LEU . 72.8 m-85 -125.28 176.78 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.5 -51.0 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -112.53 149.74 32.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -58.9 -52.04 67.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -45.18 -56.44 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -52.31 -43.64 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.449 HD12 ' CD1' ' A' ' 22' ' ' PHE . 18.4 tp -59.58 -55.6 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.1 mt -49.07 -50.71 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.48 -27.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' THR . 37.0 t60 -82.16 -57.41 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.7 mt-30 -35.26 -38.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -56.89 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.2 t -42.85 -25.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -80.31 -43.64 20.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 36' ' ' THR . 8.7 t -102.29 81.48 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.08 113.86 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -168.97 165.21 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -104.44 129.89 24.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 m -96.71 -62.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.24 -95.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.18 21.33 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 67.33 41.81 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 p -50.25 151.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.498 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -81.65 85.8 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -100.7 170.76 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.34 -47.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -89.28 122.69 32.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -107.2 -44.6 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.42 121.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.0 p -90.49 39.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 111.165 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.34 136.8 3.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -108.93 123.89 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.464 ' HE3' ' N ' ' A' ' 11' ' ' LYS . 0.2 OUTLIER -84.6 157.83 60.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -23.55 30.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -134.13 133.97 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -136.23 142.72 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -65.61 169.83 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -110.67 -30.42 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.26 -66.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.51 -19.39 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 68.13 46.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -83.69 155.19 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.31 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.571 ' CD1' HD11 ' A' ' 28' ' ' LEU . 44.3 m-85 -134.04 168.26 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -105.66 -44.95 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 22.8 p -112.11 147.26 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -64.86 -57.63 8.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -41.11 -44.58 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -63.59 -42.98 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 22' ' ' PHE . 56.9 tp -62.48 -55.07 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -43.1 -51.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.54 -34.18 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.85 -23.04 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -83.56 -33.07 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 34' ' ' THR . 4.7 ptm180 -71.41 -45.88 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 10.0 t -55.02 -32.03 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -54.86 -62.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.3 p 40.11 38.11 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.89 -175.03 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -51.05 125.97 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 142.57 24.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 109.5 2.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -51.92 136.93 27.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.28 -150.75 5.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -66.84 112.65 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -111.91 93.11 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.521 -179.98 . . . . . . . . 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 -0.327 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -141.15 142.05 34.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -104.56 110.53 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -168.86 64.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 43.7 t -36.35 113.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -85.02 -51.49 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.41 145.34 15.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 8.5 m -82.09 41.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.14 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.23 117.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -101.64 43.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -121.5 152.32 57.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.38 26.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 30.3 m-85 -124.44 133.65 53.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.02 145.6 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -63.22 175.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -118.91 -22.86 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -86.84 -16.12 37.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 62.24 55.01 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.65 150.63 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.28 139.25 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 55.0 m-85 -134.01 176.09 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.06 -49.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 p -113.46 148.67 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 12.1 ttmt -66.1 -50.71 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -44.56 -45.54 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.34 -42.28 96.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 33.7 tp -60.92 -56.59 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -38.88 -54.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.15 -32.37 50.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 42.9 t60 -79.55 -18.38 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -86.79 -41.79 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.1 ptp180 -59.34 -47.07 86.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 13.5 t -48.8 -40.66 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -55.01 -64.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -57.28 8.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.1 153.26 45.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 49.75 41.89 22.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.82 144.11 75.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.541 0.686 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 163.87 36.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -75.77 113.51 13.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.96 69.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 95.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -154.23 141.78 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -103.91 86.57 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.478 179.994 . . . . . . . . 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 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -112.23 87.58 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -87.72 126.41 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.64 179.01 28.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -79.25 152.79 30.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -90.54 121.4 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.05 95.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 p -99.45 162.33 13.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.08 64.04 1.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -102.22 125.37 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -98.58 152.98 38.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.868 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.7 24.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.531 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 46.0 m-85 -122.07 127.37 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.0 tm-20 -135.54 124.8 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 1.8 t -47.16 175.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -120.72 -26.04 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.98 -58.6 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.55 -21.63 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 70.55 48.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 162.17 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.512 ' CD1' HD12 ' A' ' 28' ' ' LEU . 77.5 m-85 -114.32 172.06 7.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.67 -49.34 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -115.86 141.04 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 5.9 ttpm? -54.86 -52.6 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 89.4 p -43.15 -47.91 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -63.06 -42.5 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD12 ' CD1' ' A' ' 22' ' ' PHE . 33.4 tp -62.55 -52.43 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 41.9 mt -49.07 -50.86 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 56.0 t -57.91 -31.91 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.4 t60 -75.91 -56.66 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -38.72 -40.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -54.71 -43.83 72.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 p -45.72 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -72.02 -74.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLY . 11.5 t -60.14 -33.52 72.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 31.4 64.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -131.57 33.01 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -119.54 84.01 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -11.55 30.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' GLY . 5.5 t -115.22 43.42 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.0 -84.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.36 27.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.32 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' SER . 8.5 t -54.75 103.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' SER . 9.0 t -37.49 105.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -149.87 169.01 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 -44.57 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.89 91.85 0.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -57.07 174.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -77.84 163.51 26.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.03 93.1 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 p -74.3 95.37 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.123 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.7 60.88 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -71.18 127.48 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.33 143.56 92.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.53 0.681 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.499 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.81 -34.98 13.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.499 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 21.7 m-85 -111.47 127.97 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.97 138.53 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.82 169.72 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -111.43 -30.91 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -58.9 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.27 -17.92 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 64.44 46.11 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -85.6 146.88 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.32 127.97 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' CD1' HD13 ' A' ' 28' ' ' LEU . 57.4 m-85 -121.67 162.28 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.95 -47.36 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.5 p -113.25 150.22 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -63.63 -50.58 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.2 m -47.3 -45.55 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD13 ' CD1' ' A' ' 22' ' ' PHE . 26.1 tp -64.6 -53.7 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.41 -45.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.6 t -62.85 -34.14 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' GLN . 15.2 t60 -73.95 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mt-30 -35.61 -51.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -40.68 -45.89 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.2 p -42.83 -40.93 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -67.63 -69.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -40.61 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.69 -99.86 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.81 119.79 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.453 ' HE2' ' N ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -144.58 115.2 5.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.98 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.03 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.418 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 28.0 t -175.1 161.07 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.453 ' N ' ' HE2' ' A' ' 39' ' ' LYS . . . -162.8 177.06 39.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t 47.35 42.33 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.2 p -47.96 112.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.506 179.981 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t 50.51 42.11 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -102.73 126.99 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.61 115.3 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -53.09 175.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -127.11 42.34 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.37 -64.13 2.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -46.76 149.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.78 60.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.96 6.59 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.34 144.31 78.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.7 -28.2 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -120.56 126.35 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -138.92 135.69 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.28 178.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 t -123.29 -22.08 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.17 -61.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.53 -11.85 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 64.65 39.63 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.43 146.89 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -89.82 143.38 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' CD2' HD11 ' A' ' 28' ' ' LEU . 78.8 m-85 -137.57 176.68 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -109.37 -45.37 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.7 p -117.29 159.43 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.18 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 m -39.73 -42.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.88 -51.51 67.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.508 HD11 ' CD2' ' A' ' 22' ' ' PHE . 46.6 tp -61.85 -44.64 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.78 -50.18 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.66 -23.33 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -92.25 -18.47 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -87.55 -31.61 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.41 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 3.9 ptm85 -60.03 -34.16 73.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -76.35 -17.79 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -78.78 54.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.78 39.42 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.59 38.12 62.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.06 83.22 3.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -79.71 130.94 65.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.2 24.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 53.56 41.84 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.39 78.51 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.1 t -70.25 159.86 33.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' SER . 35.6 t -35.09 -52.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -73.62 89.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -65.23 138.77 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 -155.7 2.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 p -150.41 174.26 13.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.349 . . . . 0.0 110.888 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -142.14 127.07 18.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.98 102.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 43.6 p -122.11 86.18 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.1 44.66 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -82.95 10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.05 149.31 42.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.578 0.704 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.475 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 52.8 Cg_endo -69.78 -12.55 33.08 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.3 m-85 -134.71 125.21 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -138.75 138.0 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.59 174.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -118.3 -26.63 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -84.49 -56.37 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -99.8 -15.57 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 63.74 54.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -87.84 171.44 10.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.2 134.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.59 168.41 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -102.37 -45.16 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -114.27 159.96 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmt -74.31 -54.24 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.9 p -42.97 -45.51 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -63.02 -45.28 93.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' HIS . 34.9 tp -59.83 -54.21 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.9 mt -41.83 -50.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.26 -30.74 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 57.1 t60 -80.71 -22.33 40.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -86.1 -35.02 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.0 ptm180 -65.49 -31.44 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -76.26 -13.21 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -78.71 45.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.9 p -95.67 134.24 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.4 79.95 0.19 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -75.11 125.47 29.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -150.01 127.83 5.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.547 0.689 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 106.91 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 m -44.45 -53.09 7.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.52 167.1 42.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.11 2.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.749 2.299 . . . . 0.0 112.299 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -141.62 164.83 29.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m 55.68 43.7 27.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.484 -179.975 . . . . . . . . 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 -0.354 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -125.61 91.8 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 t -75.25 93.86 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.4 -87.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -169.28 148.3 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -71.99 133.09 45.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.0 -162.43 1.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -113.14 157.31 21.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.65 -74.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 39.96 43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.71 139.56 11.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.569 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.76 -33.43 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.569 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.2 m-85 -92.26 126.21 37.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -140.04 129.24 23.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.97 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.8 m -122.42 -29.93 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.446 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.0 mm-40 -88.33 -59.17 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -90.79 -11.81 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 57.3 47.01 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -89.23 155.45 19.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 147.49 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.431 ' CD2' HD13 ' A' ' 28' ' ' LEU . 52.4 m-85 -141.57 155.55 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -108.62 141.23 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.551 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.01 -48.92 77.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 m -49.2 -49.0 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -55.67 -46.9 77.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.431 HD13 ' CD2' ' A' ' 22' ' ' PHE . 18.4 tp -54.21 -54.6 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.494 HD11 ' CD ' ' A' ' 25' ' ' LYS . 56.7 mt -50.41 -51.51 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' O ' ' CD ' ' A' ' 33' ' ' ARG . 6.8 t -55.62 -18.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -94.11 -41.95 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -50.67 -39.84 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 30' ' ' VAL . 27.2 ptt85 -41.23 -44.07 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.7 p -48.81 -41.67 33.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.446 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.3 m-70 -73.71 -65.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 m -106.3 118.78 37.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.64 62.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.78 166.22 11.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' CA ' ' A' ' 42' ' ' GLY . 22.1 ttpt -65.06 122.21 78.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.522 0.677 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -40.31 5.49 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -142.9 138.32 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' CA ' ' HE3' ' A' ' 39' ' ' LYS . . . -109.52 145.01 16.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -29.66 23.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -125.06 -58.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.3 m -83.51 130.11 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.465 -179.994 . . . . . . . . 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 -0.335 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -147.41 129.61 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -42.12 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.84 -56.59 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -103.39 85.83 2.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -152.91 169.9 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.21 175.52 46.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -154.14 151.06 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 140.08 23.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -121.7 93.15 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.407 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? -119.7 162.3 33.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.584 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.69 -38.81 7.45 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.584 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 29.4 m-85 -89.63 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -125.38 135.6 52.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.42 179.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -117.24 -30.3 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 11.6 mt-10 -86.06 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -92.4 -12.62 31.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 59.52 51.43 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.2 tptt -85.51 152.78 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.31 123.04 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 28' ' ' LEU . 76.4 m-85 -121.11 142.64 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -79.53 -47.49 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.1 p -115.45 143.52 45.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.578 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 38.4 tptt -58.11 -51.07 71.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.3 m -42.64 -47.16 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.21 -48.26 80.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 22' ' ' PHE . 30.1 tp -54.83 -53.01 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.2 mt -51.07 -47.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 55.2 t -61.09 -17.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -94.87 -47.76 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -45.37 -34.1 2.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.2 ptt180 -63.9 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.9 p -55.92 -21.65 21.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.498 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 27.0 m-70 -79.15 57.76 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -132.17 -48.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.9 -93.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 66.86 38.98 3.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 152.73 49.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.71 137.89 36.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . 19.1 t -34.25 125.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.81 -157.96 26.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.59 3.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.357 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -100.7 137.36 39.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.4 p -109.15 43.15 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.481 -179.953 . . . . . . . . 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 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -130.61 -45.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 t -79.4 115.26 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.76 51.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -106.96 153.11 23.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m 46.86 41.36 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.67 -103.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.551 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 p -118.11 141.34 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.129 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -166.9 3.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -112.16 18.23 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -104.08 146.82 33.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.519 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -24.21 29.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.537 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 37.7 m-85 -110.85 113.33 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.73 132.29 46.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.55 -178.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.4 m -122.4 -29.24 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -87.3 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.74 -15.71 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 62.18 53.5 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.1 156.44 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.49 137.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.416 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 91.3 m-85 -136.12 158.55 44.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.87 -47.61 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.5 p -117.98 146.82 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 tppt? -57.15 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.6 m -39.97 -48.1 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -60.58 -45.56 93.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.401 HD12 ' CD2' ' A' ' 22' ' ' PHE . 18.8 tp -59.05 -55.19 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.32 -52.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.479 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 82.3 t -54.54 -22.23 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.416 ' O ' ' N ' ' A' ' 34' ' ' THR . 51.1 t60 -90.87 -55.21 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -41.71 -40.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 30' ' ' VAL . 13.7 ptp180 -58.97 -38.84 80.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 31' ' ' HIS . 31.7 p -46.33 -37.11 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -63.76 -54.55 33.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -86.03 129.98 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.05 105.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -134.76 138.7 44.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -145.25 134.61 11.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 170.24 17.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PRO . 71.7 m -34.42 -59.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 43' ' ' PRO . . . 75.36 97.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 42' ' ' GLY . 53.6 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -70.89 170.15 13.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 t -90.03 123.14 33.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.519 179.975 . . . . . . . . 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 -0.314 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -83.71 82.24 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -118.09 173.81 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.97 82.73 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -169.67 175.89 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -121.29 130.37 53.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.21 78.45 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.4 p -42.27 156.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.6 -62.18 6.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 48.31 55.03 9.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.0 mmtt -118.1 144.14 34.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.915 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.445 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.76 -21.45 33.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.566 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 39.5 m-85 -122.35 123.21 40.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -139.28 146.82 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.75 175.61 4.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.8 p -118.76 -32.06 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.35 -52.54 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.19 -15.92 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 62.36 42.56 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.423 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 16.1 tttp -83.89 154.05 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.25 143.12 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.558 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.1 m-85 -138.77 159.44 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.94 -47.24 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 30.2 p -122.63 164.19 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 21.1 tptp -74.56 -41.38 60.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 12.7 p -51.8 -41.37 61.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -71.11 -43.03 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.7 tp -60.13 -50.21 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.92 -42.61 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.5 t -65.57 -24.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 25.4 t60 -85.19 -54.26 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.4 mt-30 -36.01 -47.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' O ' ' N ' ' A' ' 35' ' ' HIS . 11.4 mtp180 -48.2 -45.45 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.423 ' N ' ' O ' ' A' ' 31' ' ' HIS . 2.8 t -42.71 -23.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' ARG . 84.7 m-70 -81.02 47.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.1 t -175.47 140.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.45 -48.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -80.81 176.77 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -38.59 131.14 1.08 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 159.21 54.26 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -117.93 174.41 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.2 88.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -71.02 -50.09 37.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -112.84 171.74 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -16.26 37.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.378 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.668 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -130.12 124.76 33.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -132.19 137.09 47.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.93 179.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 t -120.61 -27.39 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.68 -54.95 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -97.62 -13.35 21.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 60.23 45.18 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 45.9 tttt -85.68 153.67 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 20' ' ' LYS . . . -90.05 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 m-85 -139.68 152.32 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -86.16 -51.8 6.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -107.86 146.24 32.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.8 tptm -63.1 -47.71 81.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -46.45 -53.25 11.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.76 -41.16 81.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -63.22 -55.54 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.2 mt -45.91 -51.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.9 -31.09 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 44.9 t60 -75.66 -27.99 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.889 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -39.91 5.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -97.69 130.78 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -136.46 127.8 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.39 176.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -115.95 -30.38 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -85.4 -57.75 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -98.1 -9.02 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 54.2 49.08 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -85.89 152.89 22.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -89.99 136.68 32.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.9 m-85 -134.3 147.64 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -84.55 -45.2 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -113.18 141.35 47.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 12.4 tptp -58.03 -55.0 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.9 p -42.58 -49.1 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -57.68 -45.37 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 13' ' ' PHE . 41.7 tp -56.74 -55.79 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -50.46 -45.48 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 26' ' ' SER . 95.3 t -62.66 -17.14 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -94.73 -50.47 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -38.61 7.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.374 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.7 m-85 -108.71 130.05 55.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -138.04 137.44 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.8 168.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -106.33 -28.0 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -87.82 -67.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.69 -15.09 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 62.67 39.42 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.6 145.94 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.0 139.82 30.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.63 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -112.76 158.27 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.7 ttpt -67.02 -52.5 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 m -44.34 -51.44 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -58.06 -42.96 86.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' PHE . 26.2 tp -58.44 -50.05 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 26' ' ' SER . 54.2 mt -50.68 -48.62 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.97 -29.46 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.0 t60 -80.61 -53.41 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.953 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 69.7 mmtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.06 30.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -122.95 127.88 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -139.7 134.28 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.17 175.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -116.53 -28.98 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.53 -60.39 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -94.41 -13.52 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 58.16 54.87 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.97 147.16 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.953 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.91 124.91 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' HD13 ' A' ' 28' ' ' LEU . 68.9 m-85 -120.26 174.86 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -102.81 -47.48 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -119.4 161.03 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -67.16 -56.53 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -42.26 -52.4 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -53.23 -52.3 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 22' ' ' PHE . 20.4 tp -57.27 -55.04 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.57 -51.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.66 -30.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 23.4 t60 -80.77 -56.89 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' HIS . 51.2 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.7 mptp? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.565 0.698 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -25.02 29.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 52.4 m-85 -120.7 127.87 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -137.62 132.51 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.27 173.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 p -113.06 -30.41 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -86.54 -65.07 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.78 -15.95 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 59.49 52.03 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -90.82 158.25 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -92.51 142.37 27.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -141.27 177.04 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 1.4 t30 -112.16 -51.94 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 p -109.94 148.14 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 2.7 tptm -58.21 -51.76 68.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -43.5 -56.97 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -51.1 -48.21 61.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.6 -48.91 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.62 -53.39 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.87 -25.86 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -85.28 -29.11 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -27.88 26.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.6 m-85 -114.03 125.5 54.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.37 139.96 47.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.44 170.26 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.1 p -108.66 -28.51 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -82.11 -66.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -91.12 -17.44 26.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 66.25 42.51 3.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -79.16 149.19 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -92.48 130.91 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.73 ' CD2' HD13 ' A' ' 28' ' ' LEU . 59.6 m-85 -127.1 150.09 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.27 -48.7 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.9 p -107.8 161.47 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.27 -57.92 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.5 p -43.39 -50.26 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -55.65 -46.01 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.73 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -63.65 -50.05 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.7 mt -51.68 -46.69 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.35 -26.68 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 17.3 t60 -79.0 -59.13 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.8 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.5 mppt? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.8 -38.12 8.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.8 m-85 -98.1 134.27 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -139.96 146.86 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -64.43 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -117.17 -27.28 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.46 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -88.47 -7.99 55.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 54.65 44.04 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -83.16 152.22 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -90.17 141.22 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD2' HD13 ' A' ' 28' ' ' LEU . 82.6 m-85 -139.98 130.53 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.03 -51.14 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -118.84 153.29 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 56.6 tttt -58.05 -53.3 59.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.9 p -43.5 -41.38 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.32 -47.1 80.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.7 tp -65.11 -36.71 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' SER . 81.8 mt -60.85 -49.33 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 26' ' ' SER . 59.2 t -58.65 -31.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 34.2 t60 -77.11 -55.17 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 52.7 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 18.4 mmtm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.563 0.697 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.77 -22.55 31.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.1 m-85 -128.05 114.21 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -123.59 133.87 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -57.86 168.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m -108.69 -27.75 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -84.93 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -88.02 -17.51 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 66.6 32.58 7.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.58 164.19 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.72 131.18 52.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 31' ' ' HIS . 68.1 m-85 -132.21 158.47 41.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.682 ' ND2' HG23 ' A' ' 24' ' ' THR . 4.4 p-10 -93.05 -46.39 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.682 HG23 ' ND2' ' A' ' 23' ' ' ASN . 40.2 p -112.01 151.68 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 21.6 ttpt -68.1 -57.86 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 p -38.61 -46.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.93 -40.49 95.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' LYS . 21.3 tp -63.46 -52.28 62.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -49.44 -51.42 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.06 -25.23 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 t60 -77.85 -51.36 10.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.4 mptt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -31.83 19.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' HB3' HD22 ' A' ' 28' ' ' LEU . 68.2 m-85 -103.02 122.17 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -139.64 131.84 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 165.93 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 t -104.7 -24.13 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -88.81 -69.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -84.93 -15.18 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 61.83 43.71 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.66 150.2 29.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.61 138.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 28' ' ' LEU . 50.5 m-85 -135.46 155.95 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -94.71 -49.03 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -109.45 145.83 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 26.1 ttmt -59.96 -56.33 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -41.92 -54.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.17 -52.71 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.6 tp -56.8 -55.4 34.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -42.66 -53.36 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.32 -34.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' GLN . 16.4 t60 -75.41 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.1 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' HB2' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.536 0.684 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.75 -28.42 25.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 13.2 m-85 -141.97 153.51 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HB2' ' CE ' ' A' ' 11' ' ' LYS . 34.1 tt0 -140.25 149.69 43.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.52 174.83 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -111.8 -31.21 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -85.41 -64.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.9 -8.09 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 55.61 43.14 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -74.45 158.14 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.13 129.93 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -125.28 176.78 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.5 -51.0 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -112.53 149.74 32.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -58.9 -52.04 67.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -45.18 -56.44 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -52.31 -43.64 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 13' ' ' PHE . 18.4 tp -59.58 -55.6 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.1 mt -49.07 -50.71 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.48 -27.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' GLN . 37.0 t60 -82.16 -57.41 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' CD ' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -23.55 30.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' HB3' HD22 ' A' ' 28' ' ' LEU . 48.0 m-85 -134.13 133.97 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -136.23 142.72 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -65.61 169.83 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -110.67 -30.42 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.26 -66.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.51 -19.39 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 68.13 46.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -83.69 155.19 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' CD ' ' A' ' 11' ' ' LYS . . . -91.31 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' A' ' 28' ' ' LEU . 44.3 m-85 -134.04 168.26 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.741 ' ND2' HG23 ' A' ' 24' ' ' THR . 8.7 p-10 -105.66 -44.95 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.741 HG23 ' ND2' ' A' ' 23' ' ' ASN . 22.8 p -112.11 147.26 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -64.86 -57.63 8.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -41.11 -44.58 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -63.59 -42.98 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 13' ' ' PHE . 56.9 tp -62.48 -55.07 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -43.1 -51.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.54 -34.18 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.85 -23.04 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.38 26.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 30.3 m-85 -124.44 133.65 53.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.02 145.6 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -63.22 175.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -118.91 -22.86 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -86.84 -16.12 37.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 62.24 55.01 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.65 150.63 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.28 139.25 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 55.0 m-85 -134.01 176.09 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.06 -49.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 p -113.46 148.67 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 12.1 ttmt -66.1 -50.71 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -44.56 -45.54 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.34 -42.28 96.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 33.7 tp -60.92 -56.59 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -38.88 -54.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.15 -32.37 50.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 42.9 t60 -79.55 -18.38 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 20.7 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.595 0.712 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.7 24.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 46.0 m-85 -122.07 127.37 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.0 tm-20 -135.54 124.8 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 1.8 t -47.16 175.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -120.72 -26.04 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.98 -58.6 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.55 -21.63 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 70.55 48.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 162.17 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.685 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.5 m-85 -114.32 172.06 7.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.67 -49.34 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -115.86 141.04 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.9 ttpm? -54.86 -52.6 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.4 p -43.15 -47.91 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -63.06 -42.5 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.4 tp -62.55 -52.43 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 25' ' ' LYS . 41.9 mt -49.07 -50.86 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 26' ' ' SER . 56.0 t -57.91 -31.91 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.4 t60 -75.91 -56.66 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mptt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.53 0.681 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.81 -34.98 13.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 21.7 m-85 -111.47 127.97 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.97 138.53 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.82 169.72 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -111.43 -30.91 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -58.9 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.27 -17.92 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 64.44 46.11 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -85.6 146.88 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.32 127.97 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 28' ' ' LEU . 57.4 m-85 -121.67 162.28 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.95 -47.36 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.5 p -113.25 150.22 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -63.63 -50.58 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 30' ' ' VAL . 66.2 m -47.3 -45.55 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 26.1 tp -64.6 -53.7 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.41 -45.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 26' ' ' SER . 97.6 t -62.85 -34.14 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' GLN . 15.2 t60 -73.95 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.7 -28.2 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -120.56 126.35 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -138.92 135.69 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.28 178.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 t -123.29 -22.08 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.17 -61.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.53 -11.85 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 64.65 39.63 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.43 146.89 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -89.82 143.38 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.645 ' CD2' HD13 ' A' ' 28' ' ' LEU . 78.8 m-85 -137.57 176.68 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -109.37 -45.37 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.7 p -117.29 159.43 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.18 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 m -39.73 -42.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.88 -51.51 67.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD13 ' CD2' ' A' ' 22' ' ' PHE . 46.6 tp -61.85 -44.64 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.78 -50.18 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.66 -23.33 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -92.25 -18.47 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.578 0.704 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 52.8 Cg_endo -69.78 -12.55 33.08 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.3 m-85 -134.71 125.21 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -138.75 138.0 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.59 174.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -118.3 -26.63 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -84.49 -56.37 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -99.8 -15.57 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 63.74 54.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -87.84 171.44 10.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.2 134.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.59 168.41 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -102.37 -45.16 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -114.27 159.96 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmt -74.31 -54.24 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.9 p -42.97 -45.51 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.02 -45.28 93.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' HIS . 34.9 tp -59.83 -54.21 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 26' ' ' SER . 24.9 mt -41.83 -50.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.26 -30.74 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 57.1 t60 -80.71 -22.33 40.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.472 HE21 ' HB3' ' A' ' 32' ' ' GLN . 6.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.76 -33.43 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.2 m-85 -92.26 126.21 37.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -140.04 129.24 23.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.97 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.8 m -122.42 -29.93 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -88.33 -59.17 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -90.79 -11.81 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 57.3 47.01 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -89.23 155.45 19.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 147.49 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -141.57 155.55 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -108.62 141.23 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.01 -48.92 77.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.3 m -49.2 -49.0 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -55.67 -46.9 77.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.21 -54.6 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.45 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 56.7 mt -50.41 -51.51 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 26' ' ' SER . 6.8 t -55.62 -18.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -94.11 -41.95 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mppt? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.69 -38.81 7.45 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 29.4 m-85 -89.63 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 16.0 tt0 -125.38 135.6 52.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' CB ' ' H ' ' A' ' 20' ' ' LYS . 1.8 t -56.42 179.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -117.24 -30.3 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.06 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 20' ' ' LYS . 28.6 p -92.4 -12.62 31.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 59.52 51.43 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' H ' ' CB ' ' A' ' 15' ' ' CYS . 22.2 tptt -85.51 152.78 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -89.31 123.04 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.668 ' CD2' HD13 ' A' ' 28' ' ' LEU . 76.4 m-85 -121.11 142.64 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -79.53 -47.49 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.1 p -115.45 143.52 45.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.586 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 38.4 tptt -58.11 -51.07 71.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.3 m -42.64 -47.16 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.21 -48.26 80.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.1 tp -54.83 -53.01 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 25' ' ' LYS . 37.2 mt -51.07 -47.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 26' ' ' SER . 55.2 t -61.09 -17.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -94.87 -47.76 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -24.21 29.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 37.7 m-85 -110.85 113.33 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.73 132.29 46.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.55 -178.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.4 m -122.4 -29.24 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -87.3 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.74 -15.71 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 62.18 53.5 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.1 156.44 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.49 137.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 91.3 m-85 -136.12 158.55 44.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.87 -47.61 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.5 p -117.98 146.82 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 tppt? -57.15 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.6 m -39.97 -48.1 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -60.58 -45.56 93.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.05 -55.19 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.32 -52.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 26' ' ' SER . 82.3 t -54.54 -22.23 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -90.87 -55.21 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 43.0 mmtt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.549 0.69 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.76 -21.45 33.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 39.5 m-85 -122.35 123.21 40.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -139.28 146.82 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.75 175.61 4.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.8 p -118.76 -32.06 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.35 -52.54 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.19 -15.92 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 62.36 42.56 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 16.1 tttp -83.89 154.05 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.25 143.12 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.591 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.1 m-85 -138.77 159.44 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.94 -47.24 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.425 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 30.2 p -122.63 164.19 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 21.1 tptp -74.56 -41.38 60.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.7 p -51.8 -41.37 61.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -71.11 -43.03 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.7 tp -60.13 -50.21 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.92 -42.61 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' SER . 98.5 t -65.57 -24.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 25.4 t60 -85.19 -54.26 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.4 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -98.26 86.09 3.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.33 -117.94 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -95.55 86.95 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -70.57 -48.63 54.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.52 73.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -111.64 139.6 46.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.32 174.24 13.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.59 161.11 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -97.11 153.35 38.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -16.26 37.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.378 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.668 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -130.12 124.76 33.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -132.19 137.09 47.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.93 179.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 t -120.61 -27.39 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.68 -54.95 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -97.62 -13.35 21.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 60.23 45.18 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 45.9 tttt -85.68 153.67 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 20' ' ' LYS . . . -90.05 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 m-85 -139.68 152.32 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -86.16 -51.8 6.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -107.86 146.24 32.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.8 tptm -63.1 -47.71 81.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -46.45 -53.25 11.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.76 -41.16 81.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -63.22 -55.54 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.2 mt -45.91 -51.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.9 -31.09 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.831 ' O ' HG22 ' A' ' 34' ' ' THR . 44.9 t60 -75.66 -27.99 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.12 -37.04 80.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 36' ' ' THR . 2.3 mtt180 -57.59 -50.47 73.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.9 t -42.9 -30.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -76.05 57.83 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 33' ' ' ARG . 25.0 p -129.86 155.11 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.08 -153.32 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -141.78 141.9 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 47.46 54.78 16.03 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.71 -44.36 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -104.35 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.2 146.22 4.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 155.54 65.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 m -71.87 -57.91 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m 60.57 42.35 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.464 -179.994 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -129.78 173.03 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -112.84 -61.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.79 -120.64 8.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 40.8 42.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 t -73.8 132.56 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.51 70.52 1.05 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.6 p -56.17 163.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.93 104.03 2.0 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -144.33 108.52 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -93.69 159.76 34.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -39.91 5.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -97.69 130.78 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -136.46 127.8 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.39 176.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -115.95 -30.38 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 25.5 mm-40 -85.4 -57.75 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -98.1 -9.02 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 54.2 49.08 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -85.89 152.89 22.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -89.99 136.68 32.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.9 m-85 -134.3 147.64 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -84.55 -45.2 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -113.18 141.35 47.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 12.4 tptp -58.03 -55.0 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.9 p -42.58 -49.1 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -57.68 -45.37 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 13' ' ' PHE . 41.7 tp -56.74 -55.79 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -50.46 -45.48 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 26' ' ' SER . 95.3 t -62.66 -17.14 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 34' ' ' THR . 37.6 t60 -94.73 -50.47 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -42.58 -42.12 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.8 ptt85 -50.98 -39.26 55.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 31' ' ' HIS . 65.6 p -44.73 -39.52 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 96.8 m-70 -68.33 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -69.14 141.37 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -36.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -81.92 44.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -138.1 143.8 40.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.52 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' HD2' ' A' ' 43' ' ' PRO . 23.5 t -95.48 -55.73 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -76.14 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.76 -176.59 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -101.69 -58.84 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -98.55 157.22 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.47 -179.951 . . . . . . . . 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 -0.352 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -65.58 -58.73 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 0.0 110.831 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -66.44 -43.94 84.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.73 44.06 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -84.38 81.62 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -157.6 173.8 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.76 158.33 28.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 8' ' ' THR . 15.0 t -153.93 128.23 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.96 74.66 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.05 135.85 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 144.04 27.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -38.61 7.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.374 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.7 m-85 -108.71 130.05 55.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -138.04 137.44 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.8 168.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -106.33 -28.0 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -87.82 -67.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.69 -15.09 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 62.67 39.42 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.6 145.94 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.0 139.82 30.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.63 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -112.76 158.27 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.7 ttpt -67.02 -52.5 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 m -44.34 -51.44 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -58.06 -42.96 86.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' PHE . 26.2 tp -58.44 -50.05 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 26' ' ' SER . 54.2 mt -50.68 -48.62 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.97 -29.46 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 34' ' ' THR . 42.0 t60 -80.61 -53.41 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.7 mt-30 -37.07 -42.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 35' ' ' HIS . 3.8 mtt180 -52.38 -45.47 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.7 t -43.13 -22.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' ARG . 91.8 m-70 -85.5 60.91 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 33' ' ' ARG . 2.6 p -119.52 -45.68 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.77 179.34 17.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -142.88 166.97 23.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -98.31 161.02 26.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 82.78 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.0 p -114.52 177.97 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.28 -160.7 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.06 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m 62.27 46.31 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -97.91 86.76 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.522 -179.968 . . . . . . . . 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 -0.362 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.9 m -72.34 147.12 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.818 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 25.1 p -37.83 153.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 -135.03 8.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -67.1 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -156.55 147.15 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 -69.09 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 p -47.25 167.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.19 159.5 15.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.8 102.89 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.953 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 69.7 mmtt -73.7 146.52 85.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.06 30.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -122.95 127.88 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -139.7 134.28 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.17 175.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -116.53 -28.98 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.53 -60.39 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -94.41 -13.52 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 58.16 54.87 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.97 147.16 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.953 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.91 124.91 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' HD13 ' A' ' 28' ' ' LEU . 68.9 m-85 -120.26 174.86 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.448 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.2 OUTLIER -102.81 -47.48 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -119.4 161.03 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -67.16 -56.53 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -42.26 -52.4 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -53.23 -52.3 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 22' ' ' PHE . 20.4 tp -57.27 -55.04 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.57 -51.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.66 -30.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 23.4 t60 -80.77 -56.89 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' HIS . 51.2 mt-30 -36.38 -48.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -39.39 -46.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -42.98 -42.52 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -70.91 -60.45 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -58.08 156.22 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.29 -134.68 9.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -94.84 94.4 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.22 155.35 72.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.5 3.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.4 p -121.74 137.55 54.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.32 75.63 0.58 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -34.43 14.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -112.1 91.8 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 p -154.44 121.65 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.49 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -117.28 -58.11 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -74.87 168.83 19.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.73 4.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -69.09 143.2 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -84.17 114.99 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 124.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -91.88 93.18 8.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.83 68.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -90.01 113.23 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.7 mptp? -69.79 143.8 92.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.565 0.698 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -25.02 29.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 52.4 m-85 -120.7 127.87 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -137.62 132.51 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.27 173.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 p -113.06 -30.41 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -86.54 -65.07 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.78 -15.95 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 59.49 52.03 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -90.82 158.25 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -92.51 142.37 27.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -141.27 177.04 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 1.4 t30 -112.16 -51.94 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 p -109.94 148.14 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 2.7 tptm -58.21 -51.76 68.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -43.5 -56.97 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -51.1 -48.21 61.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.6 -48.91 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.62 -53.39 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.87 -25.86 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.901 ' O ' HG22 ' A' ' 34' ' ' THR . 34.2 t60 -85.28 -29.11 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.64 -42.31 78.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -45.07 -51.36 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.901 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.7 t -42.92 -32.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -75.57 -54.45 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 36' ' ' THR . 9.8 t -114.77 105.06 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.48 -72.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -101.64 101.1 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -91.84 140.36 24.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.22 69.18 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' GLY . 1.4 t -141.65 159.22 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -34.41 -73.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.454 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.66 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.3 p -171.43 168.15 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.8 m 53.17 42.2 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.432 -179.932 . . . . . . . . 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 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -62.78 116.11 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -46.98 -43.72 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.96 -43.06 1.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -53.56 -43.86 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -62.31 151.53 36.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.97 125.0 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.4 p -123.96 95.98 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.25 51.54 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 11.1 mt-10 -129.57 37.52 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -87.09 154.42 54.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -27.88 26.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.6 m-85 -114.03 125.5 54.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.37 139.96 47.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.44 170.26 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.1 p -108.66 -28.51 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -82.11 -66.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -91.12 -17.44 26.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 66.25 42.51 3.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -79.16 149.19 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -92.48 130.91 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.73 ' CD2' HD13 ' A' ' 28' ' ' LEU . 59.6 m-85 -127.1 150.09 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.27 -48.7 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.9 p -107.8 161.47 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.27 -57.92 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.5 p -43.39 -50.26 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -55.65 -46.01 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.73 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -63.65 -50.05 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.7 mt -51.68 -46.69 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.35 -26.68 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' THR . 17.3 t60 -79.0 -59.13 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.8 mt-30 -34.09 -45.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -50.38 -47.23 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.1 t -42.99 -39.8 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' N ' ' CG2' ' A' ' 34' ' ' THR . 74.5 m-70 -62.8 -42.45 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -86.28 128.58 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.33 -62.53 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.95 102.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -136.28 160.36 67.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 p -94.5 179.31 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.37 -95.44 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.0 t -174.97 152.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.5 m -93.44 171.26 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.439 179.965 . . . . . . . . 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 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m 38.96 42.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -100.67 96.84 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.5 77.77 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 143.89 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -49.23 148.17 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.64 87.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -78.36 97.84 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.43 94.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -72.53 169.54 16.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.5 mppt? -112.73 160.38 30.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.8 -38.12 8.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.8 m-85 -98.1 134.27 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -139.96 146.86 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -64.43 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -117.17 -27.28 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.46 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -88.47 -7.99 55.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 54.65 44.04 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -83.16 152.22 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -90.17 141.22 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD2' HD13 ' A' ' 28' ' ' LEU . 82.6 m-85 -139.98 130.53 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -58.03 -51.14 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.3 p -118.84 153.29 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 56.6 tttt -58.05 -53.3 59.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.9 p -43.5 -41.38 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.32 -47.1 80.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.7 tp -65.11 -36.71 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' SER . 81.8 mt -60.85 -49.33 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 26' ' ' SER . 59.2 t -58.65 -31.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 34.2 t60 -77.11 -55.17 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 52.7 mt-30 -35.55 -50.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -40.94 -46.77 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.5 p -42.98 -40.33 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -74.1 -47.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.8 p -80.22 99.85 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.62 99.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -134.37 143.06 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -102.19 143.72 27.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.76 6.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -84.66 175.74 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.58 -108.78 1.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 1.86 4.06 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -76.82 51.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -123.54 -50.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.479 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.8 p -79.31 120.62 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -128.57 136.61 50.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.73 128.68 2.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 p -88.99 125.68 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -56.54 -60.4 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.11 142.46 7.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -92.45 45.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.16 103.83 0.56 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.79 170.04 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 18.4 mmtm -80.56 154.84 73.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.77 -22.55 31.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.1 m-85 -128.05 114.21 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -123.59 133.87 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -57.86 168.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m -108.69 -27.75 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -84.93 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -88.02 -17.51 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 66.6 32.58 7.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.58 164.19 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.72 131.18 52.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 31' ' ' HIS . 68.1 m-85 -132.21 158.47 41.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.682 ' ND2' HG23 ' A' ' 24' ' ' THR . 4.4 p-10 -93.05 -46.39 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.682 HG23 ' ND2' ' A' ' 23' ' ' ASN . 40.2 p -112.01 151.68 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 21.6 ttpt -68.1 -57.86 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 p -38.61 -46.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.93 -40.49 95.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' LYS . 21.3 tp -63.46 -52.28 62.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -49.44 -51.42 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.06 -25.23 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 t60 -77.85 -51.36 10.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -43.11 -41.02 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -51.55 -38.96 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 31' ' ' HIS . 70.1 p -43.7 -35.14 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' THR . 12.3 m-70 -86.02 61.16 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.2 t -33.98 142.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.44 61.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -115.0 55.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -123.01 73.43 46.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 86.27 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' GLY . 4.3 t -127.76 134.56 49.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -33.04 96.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.81 162.31 42.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -127.9 176.19 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.4 t -49.7 -54.36 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -142.72 164.21 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -164.78 151.21 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 116.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -121.69 171.96 8.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -80.11 144.09 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.91 58.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 p -76.82 -57.09 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.73 -179.8 16.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -133.1 142.93 48.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 7.4 mptt -96.15 143.04 25.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -31.83 19.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' HB3' HD22 ' A' ' 28' ' ' LEU . 68.2 m-85 -103.02 122.17 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -139.64 131.84 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 165.93 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 t -104.7 -24.13 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -88.81 -69.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -84.93 -15.18 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 61.83 43.71 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.66 150.2 29.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.61 138.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 28' ' ' LEU . 50.5 m-85 -135.46 155.95 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -94.71 -49.03 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -109.45 145.83 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 26.1 ttmt -59.96 -56.33 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -41.92 -54.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.17 -52.71 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.6 tp -56.8 -55.4 34.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -42.66 -53.36 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.32 -34.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.94 ' O ' HG22 ' A' ' 34' ' ' THR . 16.4 t60 -75.41 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.1 mt-30 -37.41 -44.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -48.84 -45.35 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.94 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.6 t -45.65 -27.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -80.15 -55.02 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.2 p -70.58 132.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.82 -175.73 19.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.6 tp10 -132.85 162.38 31.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 31.58 53.85 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.3 Cg_endo -69.89 167.56 24.25 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.3 t -36.22 101.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.31 163.34 26.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 102.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -39.31 143.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 m -83.3 -46.3 12.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.482 -179.991 . . . . . . . . 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 -0.314 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -131.1 86.2 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m -127.24 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.4 144.03 3.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -141.88 170.34 15.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -53.55 112.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.54 135.76 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.2 p -65.88 -53.66 36.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.1 67.65 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -104.5 80.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' HB2' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -161.59 140.39 7.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.536 0.684 . . . . 0.0 110.953 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.75 -28.42 25.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 13.2 m-85 -141.97 153.51 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HB2' ' CE ' ' A' ' 11' ' ' LYS . 34.1 tt0 -140.25 149.69 43.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.52 174.83 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -111.8 -31.21 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -85.41 -64.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.9 -8.09 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 55.61 43.14 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -74.45 158.14 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.13 129.93 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -125.28 176.78 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.5 -51.0 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -112.53 149.74 32.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -58.9 -52.04 67.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -45.18 -56.44 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 25.8 m-80 -52.31 -43.64 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 13' ' ' PHE . 18.4 tp -59.58 -55.6 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.1 mt -49.07 -50.71 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.48 -27.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' THR . 37.0 t60 -82.16 -57.41 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.7 mt-30 -35.26 -38.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -56.89 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.2 t -42.85 -25.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -80.31 -43.64 20.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 36' ' ' THR . 8.7 t -102.29 81.48 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.08 113.86 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -168.97 165.21 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -104.44 129.89 24.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 m -96.71 -62.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.24 -95.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.18 21.33 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 67.33 41.81 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 p -50.25 151.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.498 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -81.65 85.8 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -100.7 170.76 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.34 -47.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -89.28 122.69 32.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -107.2 -44.6 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.42 121.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.0 p -90.49 39.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 111.165 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.34 136.8 3.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -108.93 123.89 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' CD ' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.6 157.83 60.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -23.55 30.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' HB3' HD22 ' A' ' 28' ' ' LEU . 48.0 m-85 -134.13 133.97 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -136.23 142.72 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -65.61 169.83 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -110.67 -30.42 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.26 -66.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.51 -19.39 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 68.13 46.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -83.69 155.19 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' CD ' ' A' ' 11' ' ' LYS . . . -91.31 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' A' ' 28' ' ' LEU . 44.3 m-85 -134.04 168.26 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.741 ' ND2' HG23 ' A' ' 24' ' ' THR . 8.7 p-10 -105.66 -44.95 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.741 HG23 ' ND2' ' A' ' 23' ' ' ASN . 22.8 p -112.11 147.26 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -64.86 -57.63 8.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -41.11 -44.58 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -63.59 -42.98 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 13' ' ' PHE . 56.9 tp -62.48 -55.07 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -43.1 -51.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.54 -34.18 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.85 -23.04 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -83.56 -33.07 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 36' ' ' THR . 4.7 ptm180 -71.41 -45.88 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.486 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 10.0 t -55.02 -32.03 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -54.86 -62.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 33' ' ' ARG . 1.3 p 40.11 38.11 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.89 -175.03 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -51.05 125.97 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 142.57 24.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 109.5 2.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -51.92 136.93 27.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.28 -150.75 5.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -66.84 112.65 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -111.91 93.11 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.521 -179.98 . . . . . . . . 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 -0.327 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -141.15 142.05 34.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -104.56 110.53 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -168.86 64.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 43.7 t -36.35 113.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -85.02 -51.49 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.41 145.34 15.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 8' ' ' THR . 8.5 m -82.09 41.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.14 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.23 117.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -101.64 43.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -121.5 152.32 57.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.38 26.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 30.3 m-85 -124.44 133.65 53.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.02 145.6 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -63.22 175.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -118.91 -22.86 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -86.84 -16.12 37.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 62.24 55.01 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.65 150.63 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.28 139.25 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 55.0 m-85 -134.01 176.09 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -104.06 -49.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 p -113.46 148.67 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 12.1 ttmt -66.1 -50.71 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -44.56 -45.54 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.34 -42.28 96.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 33.7 tp -60.92 -56.59 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -38.88 -54.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 98.3 t -60.15 -32.37 50.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 42.9 t60 -79.55 -18.38 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 -86.79 -41.79 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 30' ' ' VAL . 11.1 ptp180 -59.34 -47.07 86.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.5 t -48.8 -40.66 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' N ' HG23 ' A' ' 34' ' ' THR . 40.0 m-70 -55.01 -64.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -57.28 8.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.1 153.26 45.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 49.75 41.89 22.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.82 144.11 75.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.541 0.686 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 163.87 36.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -75.77 113.51 13.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.96 69.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 95.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -154.23 141.78 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -103.91 86.57 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.478 179.994 . . . . . . . . 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 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -112.23 87.58 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -87.72 126.41 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.64 179.01 28.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -79.25 152.79 30.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -90.54 121.4 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.05 95.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 p -99.45 162.33 13.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.08 64.04 1.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -102.22 125.37 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 20.7 mmtp -98.58 152.98 38.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.7 24.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 46.0 m-85 -122.07 127.37 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.0 tm-20 -135.54 124.8 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 1.8 t -47.16 175.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -120.72 -26.04 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.98 -58.6 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.55 -21.63 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 70.55 48.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 162.17 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.685 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.5 m-85 -114.32 172.06 7.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.67 -49.34 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -115.86 141.04 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.9 ttpm? -54.86 -52.6 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.4 p -43.15 -47.91 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -63.06 -42.5 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.4 tp -62.55 -52.43 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 25' ' ' LYS . 41.9 mt -49.07 -50.86 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 26' ' ' SER . 56.0 t -57.91 -31.91 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.4 t60 -75.91 -56.66 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -38.72 -40.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -54.71 -43.83 72.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 p -45.72 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -72.02 -74.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLY . 11.5 t -60.14 -33.52 72.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 31.4 64.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -131.57 33.01 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -119.54 84.01 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -11.55 30.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' GLY . 5.5 t -115.22 43.42 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.0 -84.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.36 27.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.32 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' SER . 8.5 t -54.75 103.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' SER . 9.0 t -37.49 105.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -149.87 169.01 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 -44.57 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.89 91.85 0.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -57.07 174.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -77.84 163.51 26.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.03 93.1 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 p -74.3 95.37 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.123 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.7 60.88 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -71.18 127.48 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.33 143.56 92.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.53 0.681 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.81 -34.98 13.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 21.7 m-85 -111.47 127.97 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.97 138.53 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.82 169.72 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -111.43 -30.91 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -58.9 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.27 -17.92 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 64.44 46.11 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -85.6 146.88 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.32 127.97 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 28' ' ' LEU . 57.4 m-85 -121.67 162.28 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.95 -47.36 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.5 p -113.25 150.22 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -63.63 -50.58 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 30' ' ' VAL . 66.2 m -47.3 -45.55 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 26.1 tp -64.6 -53.7 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.41 -45.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 26' ' ' SER . 97.6 t -62.85 -34.14 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' GLN . 15.2 t60 -73.95 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mt-30 -35.61 -51.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -40.68 -45.89 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 31' ' ' HIS . 69.2 p -42.83 -40.93 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -67.63 -69.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -40.61 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.69 -99.86 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.81 119.79 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -144.58 115.2 5.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.98 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.03 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 28.0 t -175.1 161.07 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' HE2' ' A' ' 39' ' ' LYS . . . -162.8 177.06 39.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t 47.35 42.33 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.2 p -47.96 112.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.506 179.981 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t 50.51 42.11 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -102.73 126.99 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.61 115.3 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -53.09 175.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -127.11 42.34 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.37 -64.13 2.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -46.76 149.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.78 60.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' N ' ' CD ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.96 6.59 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.34 144.31 78.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.7 -28.2 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -120.56 126.35 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -138.92 135.69 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.28 178.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 t -123.29 -22.08 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.17 -61.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.53 -11.85 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 64.65 39.63 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.43 146.89 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -89.82 143.38 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.645 ' CD2' HD13 ' A' ' 28' ' ' LEU . 78.8 m-85 -137.57 176.68 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -109.37 -45.37 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.7 p -117.29 159.43 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.18 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 m -39.73 -42.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.88 -51.51 67.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD13 ' CD2' ' A' ' 22' ' ' PHE . 46.6 tp -61.85 -44.64 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.78 -50.18 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.66 -23.33 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -92.25 -18.47 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -87.55 -31.61 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 3.9 ptm85 -60.03 -34.16 73.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -76.35 -17.79 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -78.78 54.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.78 39.42 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.59 38.12 62.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.06 83.22 3.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -79.71 130.94 65.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.2 24.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 53.56 41.84 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.39 78.51 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.1 t -70.25 159.86 33.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' SER . 35.6 t -35.09 -52.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -73.62 89.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -65.23 138.77 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 -155.7 2.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 p -150.41 174.26 13.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.349 . . . . 0.0 110.888 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -142.14 127.07 18.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.98 102.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 43.6 p -122.11 86.18 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.1 44.66 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 3.4 tp10 -82.95 10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -115.05 149.31 42.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.578 0.704 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 52.8 Cg_endo -69.78 -12.55 33.08 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.3 m-85 -134.71 125.21 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -138.75 138.0 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.59 174.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -118.3 -26.63 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -84.49 -56.37 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -99.8 -15.57 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 63.74 54.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -87.84 171.44 10.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.2 134.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.59 168.41 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -102.37 -45.16 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -114.27 159.96 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmt -74.31 -54.24 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.9 p -42.97 -45.51 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 14.2 m-80 -63.02 -45.28 93.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' HIS . 34.9 tp -59.83 -54.21 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 26' ' ' SER . 24.9 mt -41.83 -50.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.26 -30.74 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 57.1 t60 -80.71 -22.33 40.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.472 HE21 ' HB3' ' A' ' 32' ' ' GLN . 6.0 mt-30 -86.1 -35.02 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 36' ' ' THR . 4.0 ptm180 -65.49 -31.44 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -76.26 -13.21 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -78.71 45.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 33' ' ' ARG . 64.9 p -95.67 134.24 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.4 79.95 0.19 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -75.11 125.47 29.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -150.01 127.83 5.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.547 0.689 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 106.91 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 m -44.45 -53.09 7.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.52 167.1 42.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.11 2.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.749 2.299 . . . . 0.0 112.299 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -141.62 164.83 29.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m 55.68 43.7 27.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.484 -179.975 . . . . . . . . 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 -0.354 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -125.61 91.8 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 t -75.25 93.86 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.4 -87.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -169.28 148.3 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -71.99 133.09 45.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.0 -162.43 1.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -113.14 157.31 21.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.65 -74.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 39.96 43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.71 139.56 11.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.76 -33.43 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.2 m-85 -92.26 126.21 37.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -140.04 129.24 23.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.97 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.8 m -122.42 -29.93 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.0 mm-40 -88.33 -59.17 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -90.79 -11.81 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.6 mm100 57.3 47.01 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -89.23 155.45 19.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 147.49 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -141.57 155.55 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -108.62 141.23 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.01 -48.92 77.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.3 m -49.2 -49.0 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -55.67 -46.9 77.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.21 -54.6 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.45 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 56.7 mt -50.41 -51.51 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 26' ' ' SER . 6.8 t -55.62 -18.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -94.11 -41.95 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -50.67 -39.84 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 30' ' ' VAL . 27.2 ptt85 -41.23 -44.07 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.7 p -48.81 -41.67 33.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.3 m-70 -73.71 -65.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 m -106.3 118.78 37.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.64 62.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.78 166.22 11.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HE3' ' CA ' ' A' ' 42' ' ' GLY . 22.1 ttpt -65.06 122.21 78.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.522 0.677 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -40.31 5.49 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -142.9 138.32 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.461 ' CA ' ' HE3' ' A' ' 39' ' ' LYS . . . -109.52 145.01 16.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -29.66 23.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -125.06 -58.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.3 m -83.51 130.11 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.465 -179.994 . . . . . . . . 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 -0.335 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -147.41 129.61 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -42.12 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.84 -56.59 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -103.39 85.83 2.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -152.91 169.9 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.21 175.52 46.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -154.14 151.06 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 140.08 23.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -121.7 93.15 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.407 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mppt? -119.7 162.3 33.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.69 -38.81 7.45 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 29.4 m-85 -89.63 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 16.0 tt0 -125.38 135.6 52.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' CB ' ' H ' ' A' ' 20' ' ' LYS . 1.8 t -56.42 179.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -117.24 -30.3 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 11.6 mt-10 -86.06 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 20' ' ' LYS . 28.6 p -92.4 -12.62 31.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 59.52 51.43 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' H ' ' CB ' ' A' ' 15' ' ' CYS . 22.2 tptt -85.51 152.78 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -89.31 123.04 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.668 ' CD2' HD13 ' A' ' 28' ' ' LEU . 76.4 m-85 -121.11 142.64 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -79.53 -47.49 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.1 p -115.45 143.52 45.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.586 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 38.4 tptt -58.11 -51.07 71.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.3 m -42.64 -47.16 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -62.21 -48.26 80.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.1 tp -54.83 -53.01 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 25' ' ' LYS . 37.2 mt -51.07 -47.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 26' ' ' SER . 55.2 t -61.09 -17.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -94.87 -47.76 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -45.37 -34.1 2.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.636 ' O ' HG22 ' A' ' 36' ' ' THR . 14.2 ptt180 -63.9 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.9 p -55.92 -21.65 21.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 27.0 m-70 -79.15 57.76 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -132.17 -48.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.9 -93.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 66.86 38.98 3.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 152.73 49.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.71 137.89 36.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . 19.1 t -34.25 125.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.81 -157.96 26.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.59 3.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.357 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -100.7 137.36 39.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.4 p -109.15 43.15 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.481 -179.953 . . . . . . . . 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 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -130.61 -45.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 t -79.4 115.26 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.76 51.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -106.96 153.11 23.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m 46.86 41.36 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.67 -103.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.551 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 p -118.11 141.34 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.129 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -166.9 3.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -112.16 18.23 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -104.08 146.82 33.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -24.21 29.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 37.7 m-85 -110.85 113.33 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.73 132.29 46.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.55 -178.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.4 m -122.4 -29.24 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -87.3 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.74 -15.71 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 62.18 53.5 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.1 156.44 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.49 137.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 91.3 m-85 -136.12 158.55 44.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.87 -47.61 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.5 p -117.98 146.82 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 tppt? -57.15 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.6 m -39.97 -48.1 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -60.58 -45.56 93.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.05 -55.19 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.32 -52.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 82.3 t -54.54 -22.23 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 34' ' ' THR . 51.1 t60 -90.87 -55.21 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -41.71 -40.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 30' ' ' VAL . 13.7 ptp180 -58.97 -38.84 80.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 31' ' ' HIS . 31.7 p -46.33 -37.11 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -63.76 -54.55 33.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -86.03 129.98 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.05 105.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -134.76 138.7 44.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -145.25 134.61 11.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 170.24 17.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PRO . 71.7 m -34.42 -59.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.36 97.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -70.89 170.15 13.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 t -90.03 123.14 33.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.519 179.975 . . . . . . . . 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 -0.314 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -83.71 82.24 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -118.09 173.81 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.97 82.73 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -169.67 175.89 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -121.29 130.37 53.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.21 78.45 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.4 p -42.27 156.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.6 -62.18 6.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 48.31 55.03 9.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 43.0 mmtt -118.1 144.14 34.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.76 -21.45 33.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 39.5 m-85 -122.35 123.21 40.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -139.28 146.82 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.75 175.61 4.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.8 p -118.76 -32.06 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.35 -52.54 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.19 -15.92 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 62.36 42.56 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 16.1 tttp -83.89 154.05 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.25 143.12 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.591 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.1 m-85 -138.77 159.44 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.94 -47.24 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.425 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 30.2 p -122.63 164.19 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 21.1 tptp -74.56 -41.38 60.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.7 p -51.8 -41.37 61.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -71.11 -43.03 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.7 tp -60.13 -50.21 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.92 -42.61 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' SER . 98.5 t -65.57 -24.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' THR . 25.4 t60 -85.19 -54.26 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.4 mt-30 -36.01 -47.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.799 ' O ' HG22 ' A' ' 36' ' ' THR . 11.4 mtp180 -48.2 -45.45 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.8 t -42.71 -23.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' ARG . 84.7 m-70 -81.02 47.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 33' ' ' ARG . 6.1 t -175.47 140.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.45 -48.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -80.81 176.77 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -38.59 131.14 1.08 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 159.21 54.26 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -117.93 174.41 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.2 88.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -71.02 -50.09 37.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -112.84 171.74 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -16.26 37.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.378 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.668 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -130.12 124.76 33.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -132.19 137.09 47.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.93 179.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 t -120.61 -27.39 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.68 -54.95 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -97.62 -13.35 21.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 60.23 45.18 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 45.9 tttt -85.68 153.67 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 20' ' ' LYS . . . -90.05 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 m-85 -139.68 152.32 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -86.16 -51.8 6.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -107.86 146.24 32.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.8 tptm -63.1 -47.71 81.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -46.45 -53.25 11.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.76 -41.16 81.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -63.22 -55.54 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.2 mt -45.91 -51.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.9 -31.09 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.401 ' CG ' ' CZ ' ' A' ' 22' ' ' PHE . 44.9 t60 -75.66 -27.99 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.889 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -39.91 5.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -97.69 130.78 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -136.46 127.8 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.39 176.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -115.95 -30.38 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -85.4 -57.75 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -98.1 -9.02 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 54.2 49.08 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -85.89 152.89 22.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -89.99 136.68 32.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.9 m-85 -134.3 147.64 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -84.55 -45.2 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -113.18 141.35 47.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 12.4 tptp -58.03 -55.0 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.9 p -42.58 -49.1 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -57.68 -45.37 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 13' ' ' PHE . 41.7 tp -56.74 -55.79 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -50.46 -45.48 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 26' ' ' SER . 95.3 t -62.66 -17.14 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.6 t60 -94.73 -50.47 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -38.61 7.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.374 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.7 m-85 -108.71 130.05 55.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -138.04 137.44 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.8 168.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -106.33 -28.0 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -87.82 -67.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.69 -15.09 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 62.67 39.42 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.6 145.94 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.0 139.82 30.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.63 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -112.76 158.27 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.7 ttpt -67.02 -52.5 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 m -44.34 -51.44 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -58.06 -42.96 86.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' PHE . 26.2 tp -58.44 -50.05 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 26' ' ' SER . 54.2 mt -50.68 -48.62 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.97 -29.46 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.415 ' O ' ' C ' ' A' ' 32' ' ' GLN . 42.0 t60 -80.61 -53.41 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.7 mt-30 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.953 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 69.7 mmtt . . . . . 0 C--O 1.231 0.116 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.06 30.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -122.95 127.88 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -139.7 134.28 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.17 175.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -116.53 -28.98 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.53 -60.39 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -94.41 -13.52 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 58.16 54.87 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.97 147.16 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.953 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.91 124.91 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' HD13 ' A' ' 28' ' ' LEU . 68.9 m-85 -120.26 174.86 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.81 -47.48 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -119.4 161.03 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -67.16 -56.53 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -42.26 -52.4 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -53.23 -52.3 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 22' ' ' PHE . 20.4 tp -57.27 -55.04 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.57 -51.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.66 -30.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 23.4 t60 -80.77 -56.89 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' HIS . 51.2 mt-30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.7 mptp? . . . . . 0 C--O 1.231 0.093 0 CA-C-O 121.565 0.698 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -25.02 29.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 52.4 m-85 -120.7 127.87 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -137.62 132.51 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.27 173.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 p -113.06 -30.41 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -86.54 -65.07 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.78 -15.95 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 59.49 52.03 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -90.82 158.25 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -92.51 142.37 27.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -141.27 177.04 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 1.4 t30 -112.16 -51.94 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 p -109.94 148.14 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 2.7 tptm -58.21 -51.76 68.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -43.5 -56.97 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -51.1 -48.21 61.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.6 -48.91 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.62 -53.39 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.87 -25.86 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 34.2 t60 -85.28 -29.11 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -27.88 26.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.6 m-85 -114.03 125.5 54.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.37 139.96 47.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.44 170.26 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.1 p -108.66 -28.51 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -82.11 -66.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -91.12 -17.44 26.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 66.25 42.51 3.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -79.16 149.19 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -92.48 130.91 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.73 ' CD2' HD13 ' A' ' 28' ' ' LEU . 59.6 m-85 -127.1 150.09 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.27 -48.7 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.9 p -107.8 161.47 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.27 -57.92 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.5 p -43.39 -50.26 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -55.65 -46.01 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.73 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -63.65 -50.05 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.7 mt -51.68 -46.69 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.35 -26.68 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.448 ' O ' ' C ' ' A' ' 32' ' ' GLN . 17.3 t60 -79.0 -59.13 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.8 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.5 mppt? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.8 -38.12 8.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.8 m-85 -98.1 134.27 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -139.96 146.86 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -64.43 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -117.17 -27.28 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.46 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -88.47 -7.99 55.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 54.65 44.04 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -83.16 152.22 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -90.17 141.22 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD2' HD13 ' A' ' 28' ' ' LEU . 82.6 m-85 -139.98 130.53 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.575 HD22 HG23 ' A' ' 24' ' ' THR . 34.6 t30 -58.03 -51.14 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.575 HG23 HD22 ' A' ' 23' ' ' ASN . 81.3 p -118.84 153.29 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 56.6 tttt -58.05 -53.3 59.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.9 p -43.5 -41.38 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.32 -47.1 80.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.695 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.7 tp -65.11 -36.71 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' SER . 81.8 mt -60.85 -49.33 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 26' ' ' SER . 59.2 t -58.65 -31.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 34.2 t60 -77.11 -55.17 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 52.7 mt-30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 18.4 mmtm . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.563 0.697 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.77 -22.55 31.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.1 m-85 -128.05 114.21 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -123.59 133.87 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -57.86 168.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m -108.69 -27.75 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -84.93 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -88.02 -17.51 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 66.6 32.58 7.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.58 164.19 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.72 131.18 52.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 31' ' ' HIS . 68.1 m-85 -132.21 158.47 41.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.682 ' ND2' HG23 ' A' ' 24' ' ' THR . 4.4 p-10 -93.05 -46.39 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.682 HG23 ' ND2' ' A' ' 23' ' ' ASN . 40.2 p -112.01 151.68 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 21.6 ttpt -68.1 -57.86 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 p -38.61 -46.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.93 -40.49 95.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' LYS . 21.3 tp -63.46 -52.28 62.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -49.44 -51.42 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.06 -25.23 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 t60 -77.85 -51.36 10.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.885 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 7.4 mptt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -31.83 19.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.559 ' HB3' HD22 ' A' ' 28' ' ' LEU . 68.2 m-85 -103.02 122.17 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -139.64 131.84 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 165.93 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 t -104.7 -24.13 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -88.81 -69.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -84.93 -15.18 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 61.83 43.71 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.66 150.2 29.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.61 138.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 28' ' ' LEU . 50.5 m-85 -135.46 155.95 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -94.71 -49.03 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -109.45 145.83 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 26.1 ttmt -59.96 -56.33 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -41.92 -54.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.17 -52.71 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.6 tp -56.8 -55.4 34.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -42.66 -53.36 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.32 -34.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' GLN . 16.4 t60 -75.41 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.1 mt-30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' HB2' ' A' ' 14' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.536 0.684 . . . . 0.0 110.953 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.75 -28.42 25.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 13.2 m-85 -141.97 153.51 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HB2' ' CE ' ' A' ' 11' ' ' LYS . 34.1 tt0 -140.25 149.69 43.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.52 174.83 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -111.8 -31.21 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -85.41 -64.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.9 -8.09 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 55.61 43.14 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -74.45 158.14 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.13 129.93 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -125.28 176.78 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.5 -51.0 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -112.53 149.74 32.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -58.9 -52.04 67.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -45.18 -56.44 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -52.31 -43.64 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 13' ' ' PHE . 18.4 tp -59.58 -55.6 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.1 mt -49.07 -50.71 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.48 -27.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 32' ' ' GLN . 37.0 t60 -82.16 -57.41 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.7 mt-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.603 ' CD ' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -23.55 30.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.557 ' HB3' HD22 ' A' ' 28' ' ' LEU . 48.0 m-85 -134.13 133.97 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -136.23 142.72 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -65.61 169.83 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -110.67 -30.42 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.26 -66.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.51 -19.39 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 68.13 46.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -83.69 155.19 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' CD ' ' A' ' 11' ' ' LYS . . . -91.31 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' A' ' 28' ' ' LEU . 44.3 m-85 -134.04 168.26 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.741 ' ND2' HG23 ' A' ' 24' ' ' THR . 8.7 p-10 -105.66 -44.95 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.741 HG23 ' ND2' ' A' ' 23' ' ' ASN . 22.8 p -112.11 147.26 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -64.86 -57.63 8.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -41.11 -44.58 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -63.59 -42.98 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 13' ' ' PHE . 56.9 tp -62.48 -55.07 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -43.1 -51.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.54 -34.18 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.85 -23.04 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.38 26.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 30.3 m-85 -124.44 133.65 53.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.02 145.6 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -63.22 175.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -118.91 -22.86 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -86.84 -16.12 37.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 62.24 55.01 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.65 150.63 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.448 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.28 139.25 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 55.0 m-85 -134.01 176.09 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.06 -49.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 p -113.46 148.67 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 12.1 ttmt -66.1 -50.71 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -44.56 -45.54 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.34 -42.28 96.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 33.7 tp -60.92 -56.59 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -38.88 -54.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.3 t -60.15 -32.37 50.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 42.9 t60 -79.55 -18.38 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.903 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 20.7 mmtp . . . . . 0 C--O 1.231 0.092 0 CA-C-O 121.595 0.712 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.7 24.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 46.0 m-85 -122.07 127.37 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.462 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.0 tm-20 -135.54 124.8 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 1.8 t -47.16 175.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -120.72 -26.04 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.98 -58.6 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.55 -21.63 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 70.55 48.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 162.17 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.685 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.5 m-85 -114.32 172.06 7.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.67 -49.34 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -115.86 141.04 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.9 ttpm? -54.86 -52.6 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.4 p -43.15 -47.91 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -63.06 -42.5 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.4 tp -62.55 -52.43 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 25' ' ' LYS . 41.9 mt -49.07 -50.86 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 26' ' ' SER . 56.0 t -57.91 -31.91 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.4 t60 -75.91 -56.66 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mptt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.53 0.681 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.81 -34.98 13.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 21.7 m-85 -111.47 127.97 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.97 138.53 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.82 169.72 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -111.43 -30.91 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -58.9 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.27 -17.92 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 64.44 46.11 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -85.6 146.88 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.32 127.97 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 28' ' ' LEU . 57.4 m-85 -121.67 162.28 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.95 -47.36 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.5 p -113.25 150.22 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -63.63 -50.58 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 30' ' ' VAL . 66.2 m -47.3 -45.55 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 26.1 tp -64.6 -53.7 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.41 -45.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 26' ' ' SER . 97.6 t -62.85 -34.14 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' GLN . 15.2 t60 -73.95 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mt-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.7 -28.2 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -120.56 126.35 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -138.92 135.69 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.28 178.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 t -123.29 -22.08 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.17 -61.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.53 -11.85 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 64.65 39.63 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.43 146.89 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -89.82 143.38 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.645 ' CD2' HD13 ' A' ' 28' ' ' LEU . 78.8 m-85 -137.57 176.68 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -109.37 -45.37 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.7 p -117.29 159.43 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.18 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 m -39.73 -42.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.88 -51.51 67.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.645 HD13 ' CD2' ' A' ' 22' ' ' PHE . 46.6 tp -61.85 -44.64 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.78 -50.18 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.66 -23.33 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -92.25 -18.47 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.578 0.704 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 52.8 Cg_endo -69.78 -12.55 33.08 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.3 m-85 -134.71 125.21 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -138.75 138.0 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.59 174.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -118.3 -26.63 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -84.49 -56.37 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -99.8 -15.57 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 63.74 54.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -87.84 171.44 10.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.2 134.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.59 168.41 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -102.37 -45.16 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -114.27 159.96 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmt -74.31 -54.24 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.9 p -42.97 -45.51 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -63.02 -45.28 93.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' HIS . 34.9 tp -59.83 -54.21 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 26' ' ' SER . 24.9 mt -41.83 -50.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.26 -30.74 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 57.1 t60 -80.71 -22.33 40.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.42 HE21 HD21 ' A' ' 28' ' ' LEU . 33.0 mt-30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.132 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.76 -33.43 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.2 m-85 -92.26 126.21 37.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -140.04 129.24 23.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.97 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.8 m -122.42 -29.93 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.0 mm-40 -88.33 -59.17 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -90.79 -11.81 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 57.3 47.01 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -89.23 155.45 19.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 147.49 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -141.57 155.55 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -108.62 141.23 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.01 -48.92 77.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.3 m -49.2 -49.0 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -55.67 -46.9 77.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.21 -54.6 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.45 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 56.7 mt -50.41 -51.51 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 26' ' ' SER . 6.8 t -55.62 -18.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -94.11 -41.95 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mppt? . . . . . 0 C--O 1.232 0.139 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.69 -38.81 7.45 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 29.4 m-85 -89.63 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 16.0 tt0 -125.38 135.6 52.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.409 ' CB ' ' H ' ' A' ' 20' ' ' LYS . 1.8 t -56.42 179.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -117.24 -30.3 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -86.06 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 20' ' ' LYS . 28.6 p -92.4 -12.62 31.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 59.52 51.43 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' H ' ' CB ' ' A' ' 15' ' ' CYS . 22.2 tptt -85.51 152.78 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -89.31 123.04 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.668 ' CD2' HD13 ' A' ' 28' ' ' LEU . 76.4 m-85 -121.11 142.64 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -79.53 -47.49 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.1 p -115.45 143.52 45.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.586 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 38.4 tptt -58.11 -51.07 71.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.3 m -42.64 -47.16 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.21 -48.26 80.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.1 tp -54.83 -53.01 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 25' ' ' LYS . 37.2 mt -51.07 -47.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 26' ' ' SER . 55.2 t -61.09 -17.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -94.87 -47.76 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.912 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -24.21 29.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 37.7 m-85 -110.85 113.33 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.73 132.29 46.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.55 -178.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.4 m -122.4 -29.24 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -87.3 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.74 -15.71 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 62.18 53.5 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.1 156.44 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.49 137.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 91.3 m-85 -136.12 158.55 44.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.87 -47.61 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.5 p -117.98 146.82 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 tppt? -57.15 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.6 m -39.97 -48.1 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -60.58 -45.56 93.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.05 -55.19 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.32 -52.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 26' ' ' SER . 82.3 t -54.54 -22.23 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.1 t60 -90.87 -55.21 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 43.0 mmtt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 121.549 0.69 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.76 -21.45 33.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 39.5 m-85 -122.35 123.21 40.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -139.28 146.82 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.75 175.61 4.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.8 p -118.76 -32.06 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.35 -52.54 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.19 -15.92 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 62.36 42.56 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 16.1 tttp -83.89 154.05 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.25 143.12 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.591 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.1 m-85 -138.77 159.44 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.94 -47.24 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.425 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 30.2 p -122.63 164.19 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 21.1 tptp -74.56 -41.38 60.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.7 p -51.8 -41.37 61.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -71.11 -43.03 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.591 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.7 tp -60.13 -50.21 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.92 -42.61 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' SER . 98.5 t -65.57 -24.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.425 ' O ' ' C ' ' A' ' 32' ' ' GLN . 25.4 t60 -85.19 -54.26 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.4 mt-30 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -98.26 86.09 3.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.797 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -55.58 177.07 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.879 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.33 -117.94 0.55 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -95.55 86.95 4.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.836 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.2 t -70.57 -48.63 54.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.52 73.44 0.24 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.457 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 7.5 t -111.64 139.6 46.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.341 . . . . 0.0 111.138 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -64.32 174.24 13.75 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.426 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -131.59 161.11 33.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.959 0.409 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 mmtm -97.11 153.35 38.52 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.593 0.711 . . . . 0.0 110.891 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.525 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.75 -16.26 37.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.676 2.25 . . . . 0.0 112.378 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.668 ' HB3' HD22 ' A' ' 28' ' ' LEU . 20.4 m-85 -130.12 124.76 33.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -132.19 137.09 47.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.93 179.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.7 t -120.61 -27.39 5.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -89.68 -54.95 3.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.863 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.0 p -97.62 -13.35 21.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.1 mm100 60.23 45.18 11.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.555 ' HD3' ' CE1' ' A' ' 22' ' ' PHE . 45.9 tttt -85.68 153.67 22.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' N ' ' HG2' ' A' ' 20' ' ' LYS . . . -90.05 142.67 27.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.082 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.555 ' CE1' ' HD3' ' A' ' 20' ' ' LYS . 46.9 m-85 -139.68 152.32 46.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -86.16 -51.8 6.07 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -107.86 146.24 32.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.095 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.567 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 4.8 tptm -63.1 -47.71 81.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -46.45 -53.25 11.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.862 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -57.76 -41.16 81.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.668 HD22 ' HB3' ' A' ' 13' ' ' PHE . 15.5 tp -63.22 -55.54 24.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.905 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 34.2 mt -45.91 -51.25 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 97.2 t -60.9 -31.09 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.152 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.831 ' O ' HG22 ' A' ' 34' ' ' THR . 44.9 t60 -75.66 -27.99 58.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.913 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 32.4 mt-30 -68.12 -37.04 80.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.624 ' O ' HG23 ' A' ' 36' ' ' THR . 2.3 mtt180 -57.59 -50.47 73.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.831 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.9 t -42.9 -30.07 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 64.1 m-70 -76.05 57.83 1.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 33' ' ' ARG . 25.0 p -129.86 155.11 46.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.197 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 84.08 -153.32 29.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -141.78 141.9 33.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.944 0.402 . . . . 0.0 110.906 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER 47.46 54.78 16.03 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 110.916 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.9 Cg_endo -69.71 -44.36 2.16 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.376 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.2 t -104.35 -46.85 4.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 157.2 146.22 4.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.446 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 155.54 65.65 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.7 m -71.87 -57.91 3.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.866 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 50.1 m 60.57 42.35 14.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.877 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.464 -179.994 . . . . . . . . 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 1.452 -0.267 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 98.3 p -129.78 173.03 11.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.844 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -112.84 -61.34 1.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.79 -120.64 8.19 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t 40.8 42.09 1.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.886 0.374 . . . . 0.0 110.869 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 t -73.8 132.56 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.833 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.51 70.52 1.05 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.451 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 35.6 p -56.17 163.83 1.47 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.817 0.341 . . . . 0.0 111.111 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.93 104.03 2.0 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -144.33 108.52 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.903 0.383 . . . . 0.0 110.828 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.444 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -93.69 159.76 34.12 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.554 0.692 . . . . 0.0 110.886 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.572 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.75 -39.91 5.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.637 2.224 . . . . 0.0 112.357 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.572 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 27.1 m-85 -97.69 130.78 44.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -136.46 127.8 28.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -50.39 176.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -115.95 -30.38 6.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.453 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 25.5 mm-40 -85.4 -57.75 2.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.7 p -98.1 -9.02 26.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 17.0 mp0 54.2 49.08 19.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmt -85.89 152.89 22.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -89.99 136.68 32.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.461 ' CD1' HD13 ' A' ' 28' ' ' LEU . 55.9 m-85 -134.3 147.64 50.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.912 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -84.55 -45.2 12.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.2 p -113.18 141.35 47.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HD3' ' CD1' ' A' ' 13' ' ' PHE . 12.4 tptp -58.03 -55.0 40.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.437 ' O ' HG23 ' A' ' 30' ' ' VAL . 78.9 p -42.58 -49.1 5.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -57.68 -45.37 85.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 13' ' ' PHE . 41.7 tp -56.74 -55.79 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.894 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 33.6 mt -50.46 -45.48 25.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.164 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 26' ' ' SER . 95.3 t -62.66 -17.14 18.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.135 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' O ' HG23 ' A' ' 34' ' ' THR . 37.6 t60 -94.73 -50.47 5.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.891 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -42.58 -42.12 3.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.958 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 53.8 ptt85 -50.98 -39.26 55.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.466 HG23 ' O ' ' A' ' 31' ' ' HIS . 65.6 p -44.73 -39.52 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.161 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.453 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 96.8 m-70 -68.33 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.9 t -69.14 141.37 54.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.147 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.6 -36.98 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.473 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -81.92 44.59 0.85 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.2 mtpp -138.1 143.8 40.88 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.694 . . . . 0.0 110.896 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.52 1.57 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.658 2.238 . . . . 0.0 112.356 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.431 ' C ' ' HD2' ' A' ' 43' ' ' PRO . 23.5 t -95.48 -55.73 2.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.862 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 116.78 -76.14 0.28 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.471 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.431 ' HD2' ' C ' ' A' ' 41' ' ' SER . 53.6 Cg_endo -69.76 -176.59 1.54 Allowed 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.696 2.264 . . . . 0.0 112.329 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.7 m -101.69 -58.84 1.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.9 t -98.55 157.22 16.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.862 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.47 -179.951 . . . . . . . . 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 -0.352 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 t -65.58 -58.73 5.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.918 0.389 . . . . 0.0 110.831 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t -66.44 -43.94 84.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.73 44.06 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -84.38 81.62 8.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 m -157.6 173.8 16.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.875 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.76 158.33 28.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.484 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.423 HG23 ' O ' ' A' ' 8' ' ' THR . 15.0 t -153.93 128.23 9.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.799 0.333 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.96 74.66 0.34 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.472 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -111.05 135.85 50.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 144.04 27.14 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.588 0.709 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.468 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.7 Cg_endo -69.78 -38.61 7.53 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.374 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 18.7 m-85 -108.71 130.05 55.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -138.04 137.44 37.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -53.8 168.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.8 m -106.33 -28.0 10.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -87.82 -67.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.9 p -83.69 -15.09 50.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 62.67 39.42 11.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -77.6 145.94 36.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.0 139.82 30.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -133.63 175.42 9.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 57.7 m-80 -95.89 -55.2 3.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.0 p -112.76 158.27 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 24.7 ttpt -67.02 -52.5 41.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' HD12 ' A' ' 29' ' ' ILE . 2.8 m -44.34 -51.44 8.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -58.06 -42.96 86.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 HD22 ' HB3' ' A' ' 13' ' ' PHE . 26.2 tp -58.44 -50.05 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 26' ' ' SER . 54.2 mt -50.68 -48.62 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -56.97 -29.46 31.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.116 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.665 ' O ' HG22 ' A' ' 34' ' ' THR . 42.0 t60 -80.61 -53.41 6.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.7 mt-30 -37.07 -42.43 0.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 ' O ' ' N ' ' A' ' 35' ' ' HIS . 3.8 mtt180 -52.38 -45.47 65.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.665 HG22 ' O ' ' A' ' 31' ' ' HIS . 3.7 t -43.13 -22.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' ARG . 91.8 m-70 -85.5 60.91 6.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.873 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 33' ' ' ARG . 2.6 p -119.52 -45.68 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.175 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -67.77 179.34 17.73 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -142.88 166.97 23.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.8 mttp -98.31 161.02 26.76 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.57 0.7 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 82.78 0.73 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.358 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 92.0 p -114.52 177.97 4.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -62.28 -160.7 0.18 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.481 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -166.06 0.17 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.711 2.274 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.9 m 62.27 46.31 6.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 23.0 t -97.91 86.76 3.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.522 -179.968 . . . . . . . . 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 -0.362 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 3' ' ' SER . 15.9 m -72.34 147.12 46.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.919 0.39 . . . . 0.0 110.818 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 2' ' ' SER . 25.1 p -37.83 153.05 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.08 -135.03 8.43 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -67.1 152.14 46.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.842 0.353 . . . . 0.0 110.869 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -156.55 147.15 21.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.69 -69.09 0.54 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.476 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 64.1 p -47.25 167.21 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.865 0.364 . . . . 0.0 111.135 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.19 159.5 15.05 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.521 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -70.8 102.89 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.953 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 69.7 mmtt -73.7 146.52 85.81 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.932 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -24.06 30.32 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.698 2.265 . . . . 0.0 112.322 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 65.4 m-85 -122.95 127.88 49.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -139.7 134.28 31.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.877 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -59.17 175.52 0.3 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.0 t -116.53 -28.98 6.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -85.53 -60.39 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.2 p -94.41 -13.52 26.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mt-30 58.16 54.87 5.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.918 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 tptp -89.97 147.16 23.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.92 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.953 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.91 124.91 35.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.109 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.515 ' CD2' HD13 ' A' ' 28' ' ' LEU . 68.9 m-85 -120.26 174.86 6.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.846 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -102.81 -47.48 4.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 32.2 p -119.4 161.03 21.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.0 tttt -67.16 -56.53 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.918 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -42.26 -52.4 4.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 50.5 m-20 -53.23 -52.3 59.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.515 HD13 ' CD2' ' A' ' 22' ' ' PHE . 20.4 tp -57.27 -55.04 39.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.57 -51.29 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.12 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.7 t -56.66 -30.4 32.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' GLN . 23.4 t60 -80.77 -56.89 3.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 31' ' ' HIS . 51.2 mt-30 -36.38 -48.25 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -39.39 -46.32 1.61 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.6 p -42.98 -42.52 3.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -70.91 -60.45 2.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 42.4 p -58.08 156.22 9.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 123.29 -134.68 9.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -94.84 94.4 8.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 110.915 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -139.22 155.35 72.48 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 2.5 3.46 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.658 2.238 . . . . 0.0 112.376 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.4 p -121.74 137.55 54.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.32 75.63 0.58 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.461 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -34.43 14.63 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.701 2.267 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 m -112.1 91.8 3.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.831 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.9 p -154.44 121.65 5.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.49 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -117.28 -58.11 2.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.897 0.38 . . . . 0.0 110.861 -179.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.0 m -74.87 168.83 19.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.32 146.73 4.42 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.47 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.1 t -69.09 143.2 54.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 m -84.17 114.99 22.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.87 124.74 0.14 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 69.3 p -91.88 93.18 8.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.808 0.337 . . . . 0.0 111.159 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 168.83 68.21 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.451 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.6 mp0 -90.01 113.23 24.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.92 0.391 . . . . 0.0 110.865 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.506 ' HD3' ' HB1' ' A' ' 21' ' ' ALA . 1.7 mptp? -69.79 143.8 92.69 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.565 0.698 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -25.02 29.07 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.678 2.252 . . . . 0.0 112.331 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CE1' ' HD3' ' A' ' 25' ' ' LYS . 52.4 m-85 -120.7 127.87 52.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -137.62 132.51 33.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.917 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.27 173.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 p -113.06 -30.41 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -86.54 -65.07 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.854 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 15.8 p -85.78 -15.95 40.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 38.4 mm-40 59.49 52.03 6.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -90.82 158.25 16.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' HB1' ' HD3' ' A' ' 11' ' ' LYS . . . -92.51 142.37 27.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 48.3 m-85 -141.27 177.04 8.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.421 ' OD1' ' C ' ' A' ' 23' ' ' ASN . 1.4 t30 -112.16 -51.94 2.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 p -109.94 148.14 32.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.179 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.519 ' HD3' ' CE1' ' A' ' 13' ' ' PHE . 2.7 tptm -58.21 -51.76 68.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 t -43.5 -56.97 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -51.1 -48.21 61.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 21.5 tp -59.6 -48.91 79.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.942 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -53.62 -53.39 25.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.87 -25.86 30.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.901 ' O ' HG22 ' A' ' 34' ' ' THR . 34.2 t60 -85.28 -29.11 24.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.64 -42.31 78.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 8.3 mtp180 -45.07 -51.36 10.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.901 HG22 ' O ' ' A' ' 31' ' ' HIS . 6.7 t -42.92 -32.12 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.142 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 -75.57 -54.45 6.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.596 ' O ' HG23 ' A' ' 36' ' ' THR . 9.8 t -114.77 105.06 12.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -161.48 -72.9 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -101.64 101.1 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.2 pttt -91.84 140.36 24.91 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.614 0.721 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 152.22 69.18 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.689 2.259 . . . . 0.0 112.341 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' GLY . 1.4 t -141.65 159.22 42.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -34.41 -73.25 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.454 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 106.66 1.7 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.664 2.242 . . . . 0.0 112.349 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 62.3 p -171.43 168.15 6.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.8 m 53.17 42.2 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.896 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 CA-C-O 119.104 -0.831 . . . . 0.0 112.432 -179.932 . . . . . . . . 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 -0.319 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 m -62.78 116.11 4.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.864 0.364 . . . . 0.0 110.857 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -46.98 -43.72 19.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 109.96 -43.06 1.8 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.5 t -53.56 -43.86 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.853 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -62.31 151.53 36.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.846 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.97 125.0 2.89 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 53.4 p -123.96 95.98 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -151.25 51.54 0.51 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.528 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.404 ' C ' ' HE3' ' A' ' 11' ' ' LYS . 11.1 mt-10 -129.57 37.52 3.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.893 0.378 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.436 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.6 OUTLIER -87.09 154.42 54.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.573 0.701 . . . . 0.0 110.914 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.73 -27.88 26.09 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.671 2.248 . . . . 0.0 112.369 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.598 ' HB3' HD22 ' A' ' 28' ' ' LEU . 30.6 m-85 -114.03 125.5 54.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -133.37 139.96 47.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.2 t -66.44 170.26 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 96.1 p -108.66 -28.51 9.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -82.11 -66.0 0.94 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.858 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.7 p -91.12 -17.44 26.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.6 mt-30 66.25 42.51 3.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.933 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.4 tptp -79.16 149.19 32.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB2' ' A' ' 11' ' ' LYS . . . -92.48 130.91 38.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.73 ' CD2' HD13 ' A' ' 28' ' ' LEU . 59.6 m-85 -127.1 150.09 49.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -85.27 -48.7 8.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.918 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.9 p -107.8 161.47 14.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.151 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tptm -73.27 -57.92 3.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 56.5 p -43.39 -50.26 6.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.893 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -55.65 -46.01 77.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.73 HD13 ' CD2' ' A' ' 22' ' ' PHE . 15.7 tp -63.65 -50.05 70.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 68.7 mt -51.68 -46.69 38.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 70.8 t -60.35 -26.68 37.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.091 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' THR . 17.3 t60 -79.0 -59.13 2.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.448 ' C ' ' O ' ' A' ' 31' ' ' HIS . 79.8 mt-30 -34.09 -45.83 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.8 mtm105 -50.38 -47.23 56.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.458 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.1 t -42.99 -39.8 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.175 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.438 ' N ' ' CG2' ' A' ' 34' ' ' THR . 74.5 m-70 -62.8 -42.45 99.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.811 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -86.28 128.58 34.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.116 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 157.33 -62.53 0.32 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.526 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -57.95 102.6 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.1 mtmt -136.28 160.36 67.27 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.632 0.73 . . . . 0.0 110.893 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -30.73 21.82 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.66 2.24 . . . . 0.0 112.344 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 72.4 p -94.5 179.31 5.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -72.37 -95.44 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -50.74 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.34 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 30.0 t -174.97 152.4 1.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.5 m -93.44 171.26 9.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.439 179.965 . . . . . . . . 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 -0.363 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.7 m 38.96 42.11 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.848 0.356 . . . . 0.0 110.836 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 t -100.67 96.84 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.5 77.77 0.37 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.476 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.6 m -151.53 143.89 24.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.93 0.395 . . . . 0.0 110.829 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -49.23 148.17 2.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.868 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.64 87.42 0.34 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.47 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 94.7 m -78.36 97.84 5.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.86 0.362 . . . . 0.0 111.124 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 56.43 94.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.545 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -72.53 169.54 16.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.937 0.399 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.5 mppt? -112.73 160.38 30.85 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.609 0.719 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.8 -38.12 8.14 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.712 2.275 . . . . 0.0 112.322 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.574 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 29.8 m-85 -98.1 134.27 41.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -139.96 146.86 39.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.904 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.627 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -64.43 178.83 0.67 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.3 t -117.17 -27.28 6.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.878 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -91.46 -62.53 1.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.877 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.8 p -88.47 -7.99 55.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.2 mm-40 54.65 44.04 29.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.521 ' HG2' ' CE2' ' A' ' 22' ' ' PHE . 0.3 OUTLIER -83.16 152.22 25.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -90.17 141.22 28.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.061 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.695 ' CD2' HD13 ' A' ' 28' ' ' LEU . 82.6 m-85 -139.98 130.53 25.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.575 HD22 HG23 ' A' ' 24' ' ' THR . 34.6 t30 -58.03 -51.14 70.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.575 HG23 HD22 ' A' ' 23' ' ' ASN . 81.3 p -118.84 153.29 34.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.142 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 56.6 tttt -58.05 -53.3 59.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.576 ' O ' HG23 ' A' ' 30' ' ' VAL . 63.9 p -43.5 -41.38 4.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -64.32 -47.1 80.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.695 HD13 ' CD2' ' A' ' 22' ' ' PHE . 22.7 tp -65.11 -36.71 85.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 26' ' ' SER . 81.8 mt -60.85 -49.33 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 26' ' ' SER . 59.2 t -58.65 -31.58 44.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 32' ' ' GLN . 34.2 t60 -77.11 -55.17 5.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 31' ' ' HIS . 52.7 mt-30 -35.55 -50.39 0.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -40.94 -46.77 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 70.5 p -42.98 -40.33 2.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.129 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -74.1 -47.31 37.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 81.8 p -80.22 99.85 8.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.62 99.03 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.466 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -134.37 143.06 47.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -102.19 143.72 27.16 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.62 0.724 . . . . 0.0 110.868 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 119.76 6.66 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.3 t -84.66 175.74 9.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.58 -108.78 1.59 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.465 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 1.86 4.06 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.67 2.247 . . . . 0.0 112.331 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 m -76.82 51.04 0.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.4 m -123.54 -50.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.81 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.479 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.459 -0.256 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.8 p -79.31 120.62 24.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -128.57 136.61 50.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.867 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 143.73 128.68 2.19 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 p -88.99 125.68 35.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.91 0.386 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.6 t -56.54 -60.4 3.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 87.11 142.46 7.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 3.6 m -92.45 45.49 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.847 0.356 . . . . 0.0 111.151 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -131.16 103.83 0.56 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.518 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -126.79 170.04 12.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.933 0.397 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.448 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 18.4 mmtm -80.56 154.84 73.92 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.563 0.697 . . . . 0.0 110.868 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.2 Cg_endo -69.77 -22.55 31.9 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.634 2.223 . . . . 0.0 112.379 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 36.1 m-85 -128.05 114.21 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -123.59 133.87 53.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -57.86 168.72 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.2 m -108.69 -27.75 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -84.93 -65.68 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 32.0 p -88.02 -17.51 31.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 66.6 32.58 7.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.885 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.6 tttt -67.58 164.19 19.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.72 131.18 52.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.534 ' CE2' ' CD2' ' A' ' 31' ' ' HIS . 68.1 m-85 -132.21 158.47 41.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.899 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.682 ' ND2' HG23 ' A' ' 24' ' ' THR . 4.4 p-10 -93.05 -46.39 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.887 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.682 HG23 ' ND2' ' A' ' 23' ' ' ASN . 40.2 p -112.01 151.68 29.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 28' ' ' LEU . 21.6 ttpt -68.1 -57.86 5.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 74.2 p -38.61 -46.12 1.17 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -64.93 -40.49 95.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.856 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 25' ' ' LYS . 21.3 tp -63.46 -52.28 62.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 57.5 mt -49.44 -51.42 14.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.101 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.06 -25.23 36.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.128 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.534 ' CD2' ' CE2' ' A' ' 22' ' ' PHE . 8.6 t60 -77.85 -51.36 10.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.816 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 74.1 mt-30 -43.11 -41.02 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -51.55 -38.96 56.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.463 HG23 ' O ' ' A' ' 31' ' ' HIS . 70.1 p -43.7 -35.14 1.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.435 ' O ' ' C ' ' A' ' 36' ' ' THR . 12.3 m-70 -86.02 61.16 6.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.826 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.435 ' C ' ' O ' ' A' ' 35' ' ' HIS . 1.2 t -33.98 142.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.169 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -105.44 61.23 0.37 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -115.0 55.98 0.75 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.932 0.396 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttp -123.01 73.43 46.81 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.717 . . . . 0.0 110.897 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 86.27 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.726 2.284 . . . . 0.0 112.334 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.463 ' O ' ' C ' ' A' ' 42' ' ' GLY . 4.3 t -127.76 134.56 49.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.831 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.463 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -33.04 96.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.43 ' N ' ' O ' ' A' ' 41' ' ' SER . 53.4 Cg_endo -69.81 162.31 42.6 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -127.9 176.19 7.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 35.4 t -49.7 -54.36 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.498 -179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -142.72 164.21 30.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.836 0.351 . . . . 0.0 110.861 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -164.78 151.21 10.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.867 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 165.9 116.8 0.38 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -121.69 171.96 8.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 110.876 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -80.11 144.09 33.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.91 58.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 39.5 p -76.82 -57.09 4.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.779 0.323 . . . . 0.0 111.153 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -127.73 -179.8 16.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.45 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -133.1 142.93 48.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 7.4 mptt -96.15 143.04 25.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.593 0.711 . . . . 0.0 110.855 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.72 -31.83 19.93 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.694 2.263 . . . . 0.0 112.307 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.559 ' HB3' HD22 ' A' ' 28' ' ' LEU . 68.2 m-85 -103.02 122.17 44.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -139.64 131.84 28.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.0 t -60.21 165.93 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.888 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.6 t -104.7 -24.13 12.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -88.81 -69.23 0.72 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.3 p -84.93 -15.18 45.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 mm100 61.83 43.71 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.941 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.66 150.2 29.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.929 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.61 138.31 31.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.505 ' CD2' HD13 ' A' ' 28' ' ' LEU . 50.5 m-85 -135.46 155.95 49.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -94.71 -49.03 5.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 34.4 p -109.45 145.83 35.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 26.1 ttmt -59.96 -56.33 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.8 p -41.92 -54.33 3.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.808 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -51.17 -52.71 41.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 13' ' ' PHE . 19.6 tp -56.8 -55.4 34.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 83.9 mt -42.66 -53.36 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.165 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.9 t -55.32 -34.41 33.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.94 ' O ' HG22 ' A' ' 34' ' ' THR . 16.4 t60 -75.41 -57.97 3.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 31' ' ' HIS . 36.1 mt-30 -37.41 -44.1 0.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.3 mtp180 -48.84 -45.35 40.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.94 HG22 ' O ' ' A' ' 31' ' ' HIS . 11.6 t -45.65 -27.6 0.82 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -80.15 -55.02 5.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 64.2 p -70.58 132.22 45.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -112.82 -175.73 19.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.454 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' O ' ' C ' ' A' ' 39' ' ' LYS . 6.6 tp10 -132.85 162.38 31.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.923 0.392 . . . . 0.0 110.877 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.481 ' C ' ' O ' ' A' ' 38' ' ' GLU . 0.0 OUTLIER 31.58 53.85 0.81 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.563 0.697 . . . . 0.0 110.885 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 53.3 Cg_endo -69.89 167.56 24.25 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.664 2.243 . . . . 0.0 112.324 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 40' ' ' PRO . 1.3 t -36.22 101.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -140.31 163.34 26.41 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 102.39 1.02 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.702 2.268 . . . . 0.0 112.323 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -39.31 143.75 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.9 m -83.3 -46.3 12.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.166 -0.796 . . . . 0.0 112.482 -179.991 . . . . . . . . 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 -0.314 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.4 p -131.1 86.2 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.867 0.365 . . . . 0.0 110.857 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.4 m -127.24 42.19 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.862 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.4 144.03 3.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.51 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -141.88 170.34 15.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.879 0.371 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 m -53.55 112.97 1.01 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.54 135.76 0.11 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.495 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 47.2 p -65.88 -53.66 36.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.796 0.331 . . . . 0.0 111.102 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 108.1 67.65 0.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.487 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -104.5 80.69 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.891 0.377 . . . . 0.0 110.861 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.478 ' CE ' ' HB2' ' A' ' 14' ' ' GLU . 0.1 OUTLIER -161.59 140.39 7.32 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.536 0.684 . . . . 0.0 110.953 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.441 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.75 -28.42 25.32 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.73 2.286 . . . . 0.0 112.293 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.441 ' CE2' ' HB2' ' A' ' 12' ' ' PRO . 13.2 m-85 -141.97 153.51 44.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HB2' ' CE ' ' A' ' 11' ' ' LYS . 34.1 tt0 -140.25 149.69 43.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -70.52 174.83 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -111.8 -31.21 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 mp0 -85.41 -64.49 1.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 30.8 p -92.9 -8.09 44.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.849 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 55.61 43.14 28.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.8 ttmm -74.45 158.14 34.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -100.13 129.93 46.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.075 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -125.28 176.78 6.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -103.5 -51.0 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.2 p -112.53 149.74 32.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -58.9 -52.04 67.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -45.18 -56.44 4.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -52.31 -43.64 64.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD22 ' HB3' ' A' ' 13' ' ' PHE . 18.4 tp -59.58 -55.6 32.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.896 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.1 mt -49.07 -50.71 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 86.6 t -55.48 -27.09 20.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 34' ' ' THR . 37.0 t60 -82.16 -57.41 3.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.7 mt-30 -35.26 -38.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -56.89 -47.49 80.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.839 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 31' ' ' HIS . 1.2 t -42.85 -25.49 0.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.166 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -80.31 -43.64 20.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 36' ' ' THR . 8.7 t -102.29 81.48 2.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.08 113.86 0.29 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.484 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -168.97 165.21 11.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.939 0.4 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -104.44 129.89 24.25 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.604 0.716 . . . . 0.0 110.901 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.77 3.25 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.656 2.237 . . . . 0.0 112.36 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.1 m -96.71 -62.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 121.24 -95.04 0.55 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.511 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 -31.18 21.33 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.351 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 t 67.33 41.81 2.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.1 p -50.25 151.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.498 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -81.65 85.8 6.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.909 0.385 . . . . 0.0 110.884 -179.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -100.7 170.76 8.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.34 -47.43 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.507 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.8 m -89.28 122.69 32.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.813 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.6 m -107.2 -44.6 4.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.87 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.42 121.11 0.95 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 24.0 p -90.49 39.63 0.98 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.897 0.38 . . . . 0.0 111.165 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.34 136.8 3.91 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.537 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -108.93 123.89 49.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.603 ' CD ' ' HB1' ' A' ' 21' ' ' ALA . 0.2 OUTLIER -84.6 157.83 60.67 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -23.55 30.41 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.632 2.221 . . . . 0.0 112.358 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.557 ' HB3' HD22 ' A' ' 28' ' ' LEU . 48.0 m-85 -134.13 133.97 41.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.887 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -136.23 142.72 44.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.3 t -65.61 169.83 5.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.4 t -110.67 -30.42 7.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.26 -66.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.909 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.51 -19.39 23.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 68.13 46.65 1.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -83.69 155.19 23.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.603 ' HB1' ' CD ' ' A' ' 11' ' ' LYS . . . -91.31 136.95 32.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.094 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.4 ' CD1' HD13 ' A' ' 28' ' ' LEU . 44.3 m-85 -134.04 168.26 19.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.89 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.741 ' ND2' HG23 ' A' ' 24' ' ' THR . 8.7 p-10 -105.66 -44.95 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.741 HG23 ' ND2' ' A' ' 23' ' ' ASN . 22.8 p -112.11 147.26 36.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.148 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 ttpp -64.86 -57.63 8.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.7 p -41.11 -44.58 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 38.0 m-20 -63.59 -42.98 98.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD22 ' HB3' ' A' ' 13' ' ' PHE . 56.9 tp -62.48 -55.07 31.01 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.909 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -43.1 -51.27 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 67.4 t -59.54 -34.18 54.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.174 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 49.1 t60 -80.85 -23.04 39.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.811 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -83.56 -33.07 25.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 36' ' ' THR . 4.7 ptm180 -71.41 -45.88 61.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.486 ' N ' ' HG3' ' A' ' 33' ' ' ARG . 10.0 t -55.02 -32.03 61.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.159 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -54.86 -62.06 1.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.548 HG23 ' O ' ' A' ' 33' ' ' ARG . 1.3 p 40.11 38.11 0.47 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.138 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -97.89 -175.03 33.54 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -51.05 125.97 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.886 0.375 . . . . 0.0 110.9 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.65 142.57 24.92 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.571 0.7 . . . . 0.0 110.936 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 109.5 2.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 2.258 . . . . 0.0 112.396 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 29.3 t -51.92 136.93 27.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.831 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -158.28 -150.75 5.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 3.06 3.0 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.624 2.216 . . . . 0.0 112.368 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.2 t -66.84 112.65 4.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.3 t -111.91 93.11 4.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.117 -0.824 . . . . 0.0 112.521 -179.98 . . . . . . . . 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 -0.327 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 t -141.15 142.05 34.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -104.56 110.53 22.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.833 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -168.86 64.8 0.18 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.467 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 4' ' ' GLY . 43.7 t -36.35 113.64 0.24 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.905 0.383 . . . . 0.0 110.867 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.2 p -85.02 -51.49 6.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.851 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.41 145.34 15.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 8' ' ' THR . 8.5 m -82.09 41.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.858 0.361 . . . . 0.0 111.14 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 60.23 117.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -101.64 43.12 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.896 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 68.1 mmtt -121.5 152.32 57.94 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.572 0.701 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 -27.38 26.92 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.736 2.291 . . . . 0.0 112.353 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 30.3 m-85 -124.44 133.65 53.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -138.02 145.6 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.4 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -63.22 175.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -118.91 -22.86 7.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.37 -64.62 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.861 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.8 p -86.84 -16.12 37.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.84 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.1 mm100 62.24 55.01 2.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -97.65 150.63 20.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.915 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.448 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -90.28 139.25 30.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.049 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.407 ' CZ ' ' CG ' ' A' ' 31' ' ' HIS . 55.0 m-85 -134.01 176.09 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.06 -49.03 3.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 p -113.46 148.67 35.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.144 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 12.1 ttmt -66.1 -50.71 63.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.1 m -44.56 -45.54 9.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.809 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -64.34 -42.28 96.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.916 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 31' ' ' HIS . 33.7 tp -60.92 -56.59 19.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.923 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 82.2 mt -38.88 -54.49 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.403 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 98.3 t -60.15 -32.37 50.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.467 ' N ' ' O ' ' A' ' 28' ' ' LEU . 42.9 t60 -79.55 -18.38 51.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -86.79 -41.79 13.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 30' ' ' VAL . 11.1 ptp180 -59.34 -47.07 86.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 31' ' ' HIS . 13.5 t -48.8 -40.66 29.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.417 ' N ' HG23 ' A' ' 34' ' ' THR . 40.0 m-70 -55.01 -64.33 0.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.65 -57.28 8.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -63.1 153.26 45.72 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.498 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 49.75 41.89 22.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.916 0.388 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.82 144.11 75.04 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.541 0.686 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 163.87 36.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.378 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.4 p -75.77 113.51 13.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.852 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -121.96 69.57 0.42 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.528 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 95.79 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.674 2.25 . . . . 0.0 112.315 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.9 t -154.23 141.78 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.83 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.8 t -103.91 86.57 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.873 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.478 179.994 . . . . . . . . 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 -0.335 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.0 p -112.23 87.58 2.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.805 0.336 . . . . 0.0 110.877 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -87.72 126.41 34.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.64 179.01 28.61 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.0 p -79.25 152.79 30.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 110.851 -179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -90.54 121.4 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.05 95.36 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.509 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 26.1 p -99.45 162.33 13.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.835 0.35 . . . . 0.0 111.144 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.08 64.04 1.9 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -102.22 125.37 48.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.535 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 20.7 mmtp -98.58 152.98 38.14 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.868 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -28.7 24.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.266 . . . . 0.0 112.314 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 46.0 m-85 -122.07 127.37 50.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.462 ' CD ' ' O ' ' A' ' 15' ' ' CYS . 5.0 tm-20 -135.54 124.8 24.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.462 ' O ' ' CD ' ' A' ' 14' ' ' GLU . 1.8 t -47.16 175.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m -120.72 -26.04 5.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.852 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -84.98 -58.6 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.55 -21.63 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 70.55 48.78 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.24 162.17 16.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -104.82 117.6 34.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.116 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.685 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.5 m-85 -114.32 172.06 7.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -101.67 -49.34 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.9 p -115.86 141.04 48.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.606 ' HG2' HD11 ' A' ' 29' ' ' ILE . 5.9 ttpm? -54.86 -52.6 62.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.546 ' O ' HG23 ' A' ' 30' ' ' VAL . 89.4 p -43.15 -47.91 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.82 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -63.06 -42.5 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.685 HD13 ' CD1' ' A' ' 22' ' ' PHE . 33.4 tp -62.55 -52.43 63.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' HG2' ' A' ' 25' ' ' LYS . 41.9 mt -49.07 -50.86 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 26' ' ' SER . 56.0 t -57.91 -31.91 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' A' ' 22' ' ' PHE . 11.4 t60 -75.91 -56.66 4.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.869 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -38.72 -40.3 0.59 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.2 mtm105 -54.71 -43.83 72.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 45.8 p -45.72 -21.3 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -72.02 -74.95 0.14 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLY . 11.5 t -60.14 -33.52 72.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' THR . . . 31.4 64.18 0.21 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.472 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -131.57 33.01 4.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.874 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -119.54 84.01 28.83 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.564 0.697 . . . . 0.0 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 -11.55 30.97 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.319 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' GLY . 5.5 t -115.22 43.42 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 41' ' ' SER . . . -35.0 -84.36 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.468 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 166.36 27.83 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.741 2.294 . . . . 0.0 112.32 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 45' ' ' SER . 8.5 t -54.75 103.43 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 44' ' ' SER . 9.0 t -37.49 105.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.841 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -149.87 169.01 22.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.84 0.353 . . . . 0.0 110.893 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.5 t -118.89 -44.57 2.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.89 91.85 0.87 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -57.07 174.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.88 -179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -77.84 163.51 26.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.03 93.1 1.11 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 28.0 p -74.3 95.37 2.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 111.123 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.7 60.88 0.51 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.515 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -71.18 127.48 32.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.96 0.409 . . . . 0.0 110.845 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -61.33 143.56 92.73 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.53 0.681 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.81 -34.98 13.34 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 21.7 m-85 -111.47 127.97 55.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.843 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -138.97 138.53 37.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 2.9 t -63.82 169.72 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.1 m -111.43 -30.91 7.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -78.43 -58.9 3.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.824 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 31.9 p -95.27 -17.92 21.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 44.3 mm-40 64.44 46.11 3.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.3 tptp -85.6 146.88 26.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.936 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.32 127.97 41.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.402 ' CD1' HD13 ' A' ' 28' ' ' LEU . 57.4 m-85 -121.67 162.28 21.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -92.95 -47.36 7.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 61.5 p -113.25 150.22 32.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.135 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.1 ttpm? -63.63 -50.58 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.539 ' O ' HG23 ' A' ' 30' ' ' VAL . 66.2 m -47.3 -45.55 24.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.874 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.97 -44.21 97.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 13' ' ' PHE . 26.1 tp -64.6 -53.7 43.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.917 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 66.4 mt -46.41 -45.88 6.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.178 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 26' ' ' SER . 97.6 t -62.85 -34.14 64.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.136 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' O ' ' C ' ' A' ' 32' ' ' GLN . 15.2 t60 -73.95 -56.83 4.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 31' ' ' HIS . 27.2 mt-30 -35.61 -51.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -40.68 -45.89 2.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 31' ' ' HIS . 69.2 p -42.83 -40.93 3.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -67.63 -69.37 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.6 p -40.61 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.69 -99.86 0.16 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.519 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -87.81 119.79 28.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.866 0.365 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.47 ' HE2' ' N ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -144.58 115.2 5.24 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.55 0.691 . . . . 0.0 110.98 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -51.03 0.41 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.74 2.293 . . . . 0.0 112.343 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.433 ' C ' ' HE2' ' A' ' 39' ' ' LYS . 28.0 t -175.1 161.07 2.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.47 ' N ' ' HE2' ' A' ' 39' ' ' LYS . . . -162.8 177.06 39.03 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -49.16 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.657 2.238 . . . . 0.0 112.367 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t 47.35 42.33 13.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.883 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 91.2 p -47.96 112.53 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 CA-C-O 119.105 -0.831 . . . . 0.0 112.506 179.981 . . . . . . . . 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 1.452 -0.28 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 t 50.51 42.11 26.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.381 . . . . 0.0 110.855 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.2 m -102.73 126.99 50.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.61 115.3 0.73 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.1 m -53.09 175.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -127.11 42.34 3.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.37 -64.13 2.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 9.4 t -46.76 149.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.843 0.354 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 157.78 60.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' CD ' ' N ' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -82.96 6.59 18.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.89 0.376 . . . . 0.0 110.875 -179.9 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.34 144.31 78.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.876 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.452 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 54.0 Cg_endo -69.7 -28.2 25.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.377 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CD2' ' HG2' ' A' ' 12' ' ' PRO . 34.1 m-85 -120.56 126.35 50.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -138.92 135.69 34.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' HA ' HD11 ' A' ' 28' ' ' LEU . 1.8 t -56.28 178.38 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.7 t -123.29 -22.08 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -90.17 -61.62 1.64 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.903 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 29.9 p -92.53 -11.85 33.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 28.7 mm100 64.65 39.63 6.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.952 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER -80.43 146.89 31.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' N ' ' HG3' ' A' ' 20' ' ' LYS . . . -89.82 143.38 26.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.084 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.645 ' CD2' HD13 ' A' ' 28' ' ' LEU . 78.8 m-85 -137.57 176.68 8.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -109.37 -45.37 3.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 64.7 p -117.29 159.43 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.168 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.91 -60.18 2.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 31.0 m -39.73 -42.33 1.23 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -61.88 -51.51 67.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.645 HD13 ' CD2' ' A' ' 22' ' ' PHE . 46.6 tp -61.85 -44.64 96.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -50.78 -50.18 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.0 t -62.66 -23.33 32.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 37.2 t60 -92.25 -18.47 23.37 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -87.55 -31.61 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.426 ' NH1' ' HB2' ' A' ' 33' ' ' ARG . 3.9 ptm85 -60.03 -34.16 73.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 10.0 t -76.35 -17.79 59.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -78.78 54.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -108.78 39.42 2.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.152 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.59 38.12 62.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.517 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -95.06 83.22 3.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.0 110.862 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 16.7 mtpt -79.71 130.94 65.79 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.2 24.94 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.2 t 53.56 41.84 32.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.39 78.51 0.24 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 116.43 4.56 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.3 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 45' ' ' SER . 1.1 t -70.25 159.86 33.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.842 -179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 44' ' ' SER . 35.6 t -35.09 -52.98 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.483 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.6 p -73.62 89.47 1.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.896 0.379 . . . . 0.0 110.865 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 t -65.23 138.77 58.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.54 -155.7 2.18 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.506 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.4 p -150.41 174.26 13.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.834 0.349 . . . . 0.0 110.888 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -142.14 127.07 18.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.98 102.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.502 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 9' ' ' GLY . 43.6 p -122.11 86.18 2.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 0.0 111.14 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 8' ' ' THR . . . 34.1 44.66 0.39 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.487 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' C ' ' HD2' ' A' ' 11' ' ' LYS . 3.4 tp10 -82.95 10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.928 0.394 . . . . 0.0 110.897 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -115.05 149.31 42.33 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.578 0.704 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.476 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 52.8 Cg_endo -69.78 -12.55 33.08 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.337 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 49.3 m-85 -134.71 125.21 26.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -138.75 138.0 37.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -59.59 174.5 0.44 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -118.3 -26.63 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -84.49 -56.37 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.5 p -99.8 -15.57 18.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 63.74 54.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.8 ttmt -87.84 171.44 10.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.2 134.32 51.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -136.59 168.41 19.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -102.37 -45.16 5.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.8 p -114.27 159.96 19.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.575 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.5 ttmt -74.31 -54.24 8.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.687 ' HA ' HD12 ' A' ' 29' ' ' ILE . 33.9 p -42.97 -45.51 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.865 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -63.02 -45.28 93.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.433 ' O ' ' N ' ' A' ' 31' ' ' HIS . 34.9 tp -59.83 -54.21 48.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.953 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.687 HD12 ' HA ' ' A' ' 26' ' ' SER . 24.9 mt -41.83 -50.97 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 65.8 t -60.26 -30.74 46.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.433 ' N ' ' O ' ' A' ' 28' ' ' LEU . 57.1 t60 -80.71 -22.33 40.41 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.42 HE21 HD21 ' A' ' 28' ' ' LEU . 33.0 mt-30 -86.1 -35.02 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.956 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.596 ' O ' HG23 ' A' ' 36' ' ' THR . 4.0 ptm180 -65.49 -31.44 72.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 9.2 t -76.26 -13.21 60.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -78.71 45.55 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.841 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 33' ' ' ARG . 64.9 p -95.67 134.24 38.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.174 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 131.4 79.95 0.19 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -75.11 125.47 29.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.892 0.377 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -150.01 127.83 5.73 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.547 0.689 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 106.91 1.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.663 2.242 . . . . 0.0 112.342 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 42.6 m -44.45 -53.09 7.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.864 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.52 167.1 42.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.469 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 4.11 2.37 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.749 2.299 . . . . 0.0 112.299 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 m -141.62 164.83 29.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.9 m 55.68 43.7 27.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.869 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.484 -179.975 . . . . . . . . 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 -0.354 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 m -125.61 91.8 3.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.879 0.371 . . . . 0.0 110.848 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 t -75.25 93.86 2.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.4 -87.08 0.47 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.7 t -169.28 148.3 3.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.888 0.375 . . . . 0.0 110.862 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.2 m -71.99 133.09 45.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.0 -162.43 1.18 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 71.3 p -113.14 157.31 21.81 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.83 0.348 . . . . 0.0 111.162 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.65 -74.23 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 39.96 43.79 1.32 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 0.0 110.891 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.71 139.56 11.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.551 0.691 . . . . 0.0 110.93 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.578 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.8 Cg_endo -69.76 -33.43 16.58 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.652 2.234 . . . . 0.0 112.372 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 37.2 m-85 -92.26 126.21 37.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -140.04 129.24 23.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.97 -178.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.88 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.8 m -122.42 -29.93 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 37.0 mm-40 -88.33 -59.17 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.3 p -90.79 -11.81 38.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 57.3 47.01 17.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.912 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -89.23 155.45 19.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.906 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.48 147.49 22.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.048 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -141.57 155.55 45.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.21 -50.0 5.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.2 p -108.62 141.23 40.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.537 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -57.01 -48.92 77.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.922 179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.73 ' O ' HG23 ' A' ' 30' ' ' VAL . 45.3 m -49.2 -49.0 44.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 22.8 m-20 -55.67 -46.9 77.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.897 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.4 tp -54.21 -54.6 37.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.45 HD11 ' NZ ' ' A' ' 25' ' ' LYS . 56.7 mt -50.41 -51.51 18.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.171 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 26' ' ' SER . 6.8 t -55.62 -18.69 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 t60 -94.11 -41.95 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -50.67 -39.84 52.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' CD ' ' O ' ' A' ' 30' ' ' VAL . 27.2 ptt85 -41.23 -44.07 2.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 48.7 p -48.81 -41.67 33.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 83.3 m-70 -73.71 -65.94 0.76 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.847 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 m -106.3 118.78 37.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -157.64 62.06 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.476 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -65.78 166.22 11.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.895 0.379 . . . . 0.0 110.879 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.461 ' HE3' ' CA ' ' A' ' 42' ' ' GLY . 22.1 ttpt -65.06 122.21 78.41 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.522 0.677 . . . . 0.0 110.952 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -40.31 5.49 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.684 2.256 . . . . 0.0 112.367 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.7 m -142.9 138.32 30.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.461 ' CA ' ' HE3' ' A' ' 39' ' ' LYS . . . -109.52 145.01 16.75 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.497 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -29.66 23.53 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.2 t -125.06 -58.08 1.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.3 m -83.51 130.11 35.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.465 -179.994 . . . . . . . . 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 -0.335 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.8 m -147.41 129.61 15.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.844 0.354 . . . . 0.0 110.906 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.3 t -42.12 156.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.84 -56.59 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.475 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -103.39 85.83 2.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.907 0.384 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.4 p -152.91 169.9 21.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.844 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.21 175.52 46.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.508 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 13.1 t -154.14 151.06 28.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.849 0.357 . . . . 0.0 111.146 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 140.08 23.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -121.7 93.15 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.407 . . . . 0.0 110.894 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.44 ' HE2' ' HB1' ' A' ' 21' ' ' ALA . 1.8 mppt? -119.7 162.3 33.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.597 ' HG2' ' CD1' ' A' ' 13' ' ' PHE . 53.9 Cg_endo -69.69 -38.81 7.45 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.702 2.268 . . . . 0.0 112.37 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' CD1' ' HG2' ' A' ' 12' ' ' PRO . 29.4 m-85 -89.63 113.56 25.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 16.0 tt0 -125.38 135.6 52.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.409 ' CB ' ' H ' ' A' ' 20' ' ' LYS . 1.8 t -56.42 179.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.857 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.6 m -117.24 -30.3 5.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' HB2' ' CD2' ' A' ' 35' ' ' HIS . 11.6 mt-10 -86.06 -63.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 20' ' ' LYS . 28.6 p -92.4 -12.62 31.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.875 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 46.4 mm-40 59.52 51.43 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' H ' ' CB ' ' A' ' 15' ' ' CYS . 22.2 tptt -85.51 152.78 22.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.884 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.44 ' HB1' ' HE2' ' A' ' 11' ' ' LYS . . . -89.31 123.04 33.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.101 179.82 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.668 ' CD2' HD13 ' A' ' 28' ' ' LEU . 76.4 m-85 -121.11 142.64 49.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 85.4 m-20 -79.53 -47.49 15.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.1 p -115.45 143.52 45.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.586 ' HB2' ' CE2' ' A' ' 13' ' ' PHE . 38.4 tptt -58.11 -51.07 71.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.876 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.624 ' O ' HG23 ' A' ' 30' ' ' VAL . 50.3 m -42.64 -47.16 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.858 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -62.21 -48.26 80.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.668 HD13 ' CD2' ' A' ' 22' ' ' PHE . 30.1 tp -54.83 -53.01 60.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.944 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.446 HD11 ' HG3' ' A' ' 25' ' ' LYS . 37.2 mt -51.07 -47.54 31.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.124 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 26' ' ' SER . 55.2 t -61.09 -17.21 15.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.112 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -94.87 -47.76 6.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -45.37 -34.1 2.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.636 ' O ' HG22 ' A' ' 36' ' ' THR . 14.2 ptt180 -63.9 -39.14 93.49 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 33.9 p -55.92 -21.65 21.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.127 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.508 ' CD2' ' HB2' ' A' ' 17' ' ' GLU . 27.0 m-70 -79.15 57.76 2.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.891 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.636 HG22 ' O ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -132.17 -48.91 0.93 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 -179.888 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 148.9 -93.57 0.15 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 66.86 38.98 3.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.957 0.408 . . . . 0.0 110.908 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.03 152.73 49.13 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.566 0.698 . . . . 0.0 110.895 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.7 Cg_endo -69.71 137.89 36.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.722 2.281 . . . . 0.0 112.328 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' C ' ' O ' ' A' ' 40' ' ' PRO . 19.1 t -34.25 125.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.81 -157.96 26.53 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.473 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 2.59 3.4 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.667 2.244 . . . . 0.0 112.357 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.8 m -100.7 137.36 39.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.4 p -109.15 43.15 1.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.148 -0.806 . . . . 0.0 112.481 -179.953 . . . . . . . . 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 -0.325 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.5 m -130.61 -45.88 1.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.933 0.397 . . . . 0.0 110.843 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.8 t -79.4 115.26 18.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.879 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.76 51.97 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 t -106.96 153.11 23.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.879 0.371 . . . . 0.0 110.867 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.2 m 46.86 41.36 10.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -52.67 -103.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.551 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.1 p -118.11 141.34 48.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.867 0.365 . . . . 0.0 111.129 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -67.63 -166.9 3.4 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.493 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -112.16 18.23 18.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.924 0.392 . . . . 0.0 110.887 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -104.08 146.82 33.28 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.891 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.5 Cg_endo -69.77 -24.21 29.88 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.65 2.233 . . . . 0.0 112.34 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 37.7 m-85 -110.85 113.33 25.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -129.73 132.29 46.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.55 -178.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.4 m -122.4 -29.24 4.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -87.3 -61.17 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.846 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 28.6 p -91.74 -15.71 27.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 47.2 mm-40 62.18 53.5 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HB3' ' CE2' ' A' ' 22' ' ' PHE . 0.0 OUTLIER -90.1 156.44 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.49 137.6 32.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' CE2' ' HB3' ' A' ' 20' ' ' LYS . 91.3 m-85 -136.12 158.55 44.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -93.87 -47.61 6.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.5 p -117.98 146.82 43.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.545 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 15.3 tppt? -57.15 -55.58 32.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.409 ' O ' HG23 ' A' ' 30' ' ' VAL . 58.6 m -39.97 -48.1 2.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -60.58 -45.56 93.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.892 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.05 -55.19 38.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 60.6 mt -48.32 -52.28 8.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.082 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 ' HA ' ' NE ' ' A' ' 33' ' ' ARG . 82.3 t -54.54 -22.23 8.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 34' ' ' THR . 51.1 t60 -90.87 -55.21 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -41.71 -40.13 1.89 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.869 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 30' ' ' VAL . 13.7 ptp180 -58.97 -38.84 80.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.44 HG23 ' O ' ' A' ' 31' ' ' HIS . 31.7 p -46.33 -37.11 7.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.161 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 93.1 m-70 -63.76 -54.55 33.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.832 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 9.7 t -86.03 129.98 34.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.146 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -128.05 105.83 0.75 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.465 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -134.76 138.7 44.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -145.25 134.61 11.35 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.61 0.719 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 41' ' ' SER . 53.8 Cg_endo -69.78 170.24 17.06 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.368 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 40' ' ' PRO . 71.7 m -34.42 -59.4 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . 75.36 97.71 0.12 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.469 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 2.01 3.9 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.0 m -70.89 170.15 13.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.85 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.3 t -90.03 123.14 33.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.826 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.519 179.975 . . . . . . . . 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 -0.314 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 m -83.71 82.24 8.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.882 0.372 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -118.09 173.81 6.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.897 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.97 82.73 1.32 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.475 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.3 t -169.67 175.89 5.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.865 0.364 . . . . 0.0 110.871 -179.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -121.29 130.37 53.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.827 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.21 78.45 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.516 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 68.4 p -42.27 156.89 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 111.127 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.6 -62.18 6.6 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 48.31 55.03 9.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.428 ' HG3' ' HB1' ' A' ' 21' ' ' ALA . 43.0 mmtt -118.1 144.14 34.22 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.549 0.69 . . . . 0.0 110.915 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.451 ' HG2' ' CD2' ' A' ' 13' ' ' PHE . 53.3 Cg_endo -69.76 -21.45 33.45 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.257 . . . . 0.0 112.351 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 39.5 m-85 -122.35 123.21 40.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -139.28 146.82 40.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -70.75 175.61 4.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 75.8 p -118.76 -32.06 4.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -80.35 -52.54 7.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 18.9 p -100.19 -15.92 17.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 36.6 mm-40 62.36 42.56 8.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' HG2' ' CE1' ' A' ' 22' ' ' PHE . 16.1 tttp -83.89 154.05 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.87 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.428 ' HB1' ' HG3' ' A' ' 11' ' ' LYS . . . -90.25 143.12 27.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.103 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.591 ' CD1' HD13 ' A' ' 28' ' ' LEU . 77.1 m-85 -138.77 159.44 42.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.6 t30 -89.94 -47.24 7.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.893 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.425 ' HA ' ' CE2' ' A' ' 13' ' ' PHE . 30.2 p -122.63 164.19 18.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.201 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 13' ' ' PHE . 21.1 tptp -74.56 -41.38 60.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 30' ' ' VAL . 12.7 p -51.8 -41.37 61.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -71.11 -43.03 68.49 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.591 HD13 ' CD1' ' A' ' 22' ' ' PHE . 34.7 tp -60.13 -50.21 74.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.979 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 73.9 mt -51.92 -42.61 33.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.121 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 26' ' ' SER . 98.5 t -65.57 -24.71 35.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.63 ' O ' HG22 ' A' ' 34' ' ' THR . 25.4 t60 -85.19 -54.26 4.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.425 ' C ' ' O ' ' A' ' 31' ' ' HIS . 89.4 mt-30 -36.01 -47.17 0.52 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.799 ' O ' HG22 ' A' ' 36' ' ' THR . 11.4 mtp180 -48.2 -45.45 33.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 -179.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.63 HG22 ' O ' ' A' ' 31' ' ' HIS . 2.8 t -42.71 -23.45 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.201 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' ARG . 84.7 m-70 -81.02 47.24 0.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.799 HG22 ' O ' ' A' ' 33' ' ' ARG . 6.1 t -175.47 140.21 0.47 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 141.45 -48.15 0.82 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.5 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -80.81 176.77 9.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.968 0.413 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -38.59 131.14 1.08 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 159.21 54.26 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.716 2.277 . . . . 0.0 112.317 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 84.7 p -117.93 174.41 6.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.2 88.68 0.25 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.544 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 121.78 8.47 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 7.9 m -71.02 -50.09 37.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.5 t -112.84 171.74 7.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.821 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.473 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_