data_2rrh_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 2rrh _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 ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.815 0.341 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 6' ' ' PHE . 3.4 p -60.2 -38.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 27.8 m-85 -60.28 -54.35 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 8' ' ' ASP . 9.0 t -67.63 -38.4 83.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.436 ' N ' HG21 ' A' ' 7' ' ' THR . 0.3 OUTLIER -57.65 -43.78 85.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.54 -44.03 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 17.0 m-85 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.5 m -60.46 -41.48 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -71.77 -43.64 65.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.82 -38.12 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.52 -37.11 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.21 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.2 mm-40 -62.07 -46.18 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -69.42 -37.02 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.85 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.9 -42.67 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.9 mtmt -65.6 -43.87 88.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.01 95.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.06 -52.72 58.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.42 -32.85 74.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.44 -44.02 75.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -69.64 -50.16 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.8 mt -50.36 -52.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.28 -41.19 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.2 t30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 6' ' ' PHE . 7.6 p -63.51 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.454 ' N ' HG11 ' A' ' 5' ' ' VAL . 37.9 m-85 -61.12 -54.38 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.62 -38.68 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -43.32 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.7 -42.33 96.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.4 -41.37 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -60.4 -45.33 93.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -69.7 -43.91 71.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.92 -39.75 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.55 -36.88 79.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -60.43 -40.5 91.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.468 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.0 mm-40 -64.92 -46.15 82.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 mmt -69.48 -36.83 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.71 63.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.96 -41.8 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.1 mtmt -65.65 -42.17 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -64.0 -44.04 93.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.08 -53.02 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 2.7 pp -63.24 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -47.73 75.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -69.85 -45.94 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.49 -50.97 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.01 -42.04 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 p -64.35 -38.6 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 68.6 m-85 -66.83 -54.52 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.554 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -66.04 -38.46 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.53 -41.06 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -72.27 -27.57 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 11.3 m-30 -60.46 -37.29 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 1.2 t -57.95 -40.34 80.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' CG2' ' A' ' 11' ' ' THR . 12.2 mmm180 -60.01 -41.11 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.98 -39.49 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -60.02 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.81 -39.95 82.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.5 mm-40 -64.43 -46.19 84.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.5 -36.86 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.19 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.95 -40.63 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 17.8 mtmt -65.66 -42.77 90.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -65.12 -36.87 85.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -53.71 17.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 4.3 pp -59.01 -34.04 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.449 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 22.8 t30 -62.32 -47.06 85.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.98 -52.23 60.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -58.3 -41.02 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.72 -27.33 44.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 4.2 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.18 -39.82 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.56 -54.48 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.05 -38.52 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -58.15 -47.96 81.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -55.81 -43.16 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -69.83 -42.56 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -59.44 -45.34 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -43.28 67.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -40.14 88.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.81 -36.89 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 15.3 mm-40 -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mtt -69.55 -36.48 76.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.95 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.92 -47.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.35 -43.83 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.86 -36.2 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.38 -46.92 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.08 -34.92 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -51.25 69.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -69.62 -48.04 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.52 -54.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.1 -40.93 97.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.859 0.362 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -63.53 -39.33 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -63.41 -54.28 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -66.83 -38.58 86.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -37.03 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.1 -41.66 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -66.14 -44.32 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -58.02 -44.75 87.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -70.38 -39.26 74.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.76 -37.62 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.78 -36.94 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -59.21 -40.0 84.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 32.6 mm-40 -64.55 -46.25 83.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.0 mmm -69.43 -36.87 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -73.09 -32.69 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.88 -47.36 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 7.7 mtmt -65.64 -41.4 92.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.41 -39.94 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 23.9 m-85 -66.99 -53.99 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.4 pp -58.68 -36.69 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.516 ' ND2' HD21 ' A' ' 28' ' ' ASN . 7.7 t30 -67.5 -35.95 80.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.465 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 50.1 m -69.81 -46.66 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -68.7 -31.64 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -80.5 -42.31 22.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.516 HD21 ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.35 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.5 -38.48 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.494 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 24.4 m-85 -64.15 -54.48 33.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -64.93 -38.38 90.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -41.75 82.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.591 ' OD1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -68.36 -42.45 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CD1' ' OD1' ' A' ' 9' ' ' ASN . 18.3 m-85 -64.83 -42.0 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.67 -36.89 79.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -60.72 -36.83 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.05 83.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -46.42 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mtt -69.62 -36.23 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.19 -26.53 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.82 -46.49 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -56.92 -45.59 82.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -56.82 -36.31 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.87 -46.76 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 27' ' ' LEU . 8.9 mt -61.63 -33.55 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 4.6 t30 -63.34 -42.19 98.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -69.84 -51.89 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -62.29 -53.36 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 20.8 mt -61.78 -37.91 86.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 6.3 t-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.26 -38.84 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.32 -54.68 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -67.68 -38.22 83.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.02 -39.11 88.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -72.69 -36.78 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -63.51 -47.23 82.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 13' ' ' LEU . 6.1 ptp180 -60.71 -44.49 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tp -66.82 -36.69 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -59.43 -36.81 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.64 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 1.1 mp0 -60.69 -46.39 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.4 mmm -69.58 -36.34 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.09 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.94 -47.36 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.8 -39.18 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 32.7 mmtt -65.61 -36.19 83.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 3.4 m-85 -67.26 -36.52 81.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -70.3 -33.59 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -72.09 -47.3 52.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.552 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 22.5 t -69.84 -25.64 63.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 52.4 mt -86.04 -56.18 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.57 -42.2 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.68 -42.58 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -60.98 -54.49 44.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 8' ' ' ASP . 9.0 t -64.14 -38.38 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -56.94 -35.74 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -71.87 -43.1 66.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.05 -42.69 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 5.0 t -64.61 -40.81 96.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.437 ' N ' HG23 ' A' ' 11' ' ' THR . 14.2 ttm180 -66.92 -42.62 85.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.94 -38.23 85.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.45 -36.89 76.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -60.03 -45.61 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -60.05 -46.39 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.61 -36.37 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -26.94 61.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.84 -44.28 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -56.76 -42.28 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 3.6 tmmm? -62.43 -40.73 97.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.18 -38.36 86.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -70.66 -33.71 71.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.573 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.573 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 34.5 t -69.88 -25.76 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.78 -58.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.44 -42.32 98.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.06 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 61.3 m-85 -60.24 -54.5 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.562 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -67.73 -38.35 83.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.02 -46.83 84.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.06 -27.7 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 13.5 m-30 -65.4 -34.28 77.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 m -65.79 -43.97 87.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -44.37 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.85 -40.73 85.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.22 -37.13 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -58.27 -45.01 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.53 -46.05 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.6 mtp -69.51 -37.04 77.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -26.31 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.77 -47.68 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -56.69 -45.83 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 20.3 tptm -60.36 -41.09 92.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 3.2 m-85 -60.59 -38.51 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -69.33 -38.19 78.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -65.92 -50.53 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.59 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 75.3 p -69.99 -32.98 71.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 55.0 mt -73.49 -59.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.47 -39.01 89.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 12.5 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.16 -39.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 -54.59 43.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 8' ' ' ASP . 15.3 t -67.58 -38.21 83.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' HG21 ' A' ' 7' ' ' THR . 8.6 m-20 -55.76 -41.88 74.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.92 -42.1 97.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.84 -34.08 77.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -40.39 97.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -72.48 -38.95 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.53 -38.97 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -68.07 -36.89 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -62.81 -37.08 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -70.49 -46.41 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mtt -69.59 -36.13 75.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.6 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.86 -47.48 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 3.1 mtmm -65.8 -37.75 87.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -42.62 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -67.54 -53.62 26.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 4.5 pp -63.28 -31.13 72.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 31.1 t30 -66.38 -44.3 83.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 t -65.13 -52.3 56.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -59.01 -46.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.81 -29.03 60.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.77 -38.23 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -60.19 -54.9 40.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 8' ' ' ASP . 14.7 t -67.2 -37.67 84.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.456 ' N ' HG21 ' A' ' 7' ' ' THR . 1.5 t70 -55.36 -40.32 71.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -71.45 -36.43 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.32 -45.46 80.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -58.05 -43.6 86.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -71.92 -44.57 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.43 -36.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.26 -36.6 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.7 mm100 -62.26 -46.46 88.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.61 -36.18 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.19 -33.02 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.9 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 9.0 mtmt -65.67 -42.13 91.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -65.5 -36.24 83.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.6 m-85 -70.15 -53.96 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.2 pp -58.6 -34.77 71.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 25.4 t30 -70.19 -35.41 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.47 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 40.3 t -69.85 -45.93 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -68.88 -31.99 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 12.2 mt -80.57 -42.25 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.41 -38.53 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -66.44 -39.71 89.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.89 -35.84 66.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -71.89 -44.36 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.5 -46.64 87.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 12' ' ' ARG . 14.5 t -65.04 -41.05 95.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' HG23 ' A' ' 11' ' ' THR . 34.7 ttm-85 -64.82 -41.51 95.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.48 -39.11 91.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -60.93 -37.45 82.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.87 85.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.5 mm-40 -66.13 -46.56 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mmm -69.7 -36.01 75.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.85 -26.28 61.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.58 -39.39 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.57 -45.87 84.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.03 -36.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.9 -51.03 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.4 mt -70.55 -33.05 70.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.0 -45.36 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -69.94 -52.39 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -60.62 -55.04 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 19.7 mt -61.46 -35.0 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.4 p -62.68 -39.29 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.464 ' N ' HG13 ' A' ' 5' ' ' VAL . 46.8 m-85 -61.81 -54.55 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.506 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 9.9 t -67.7 -38.39 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.428 ' N ' HG21 ' A' ' 7' ' ' THR . 0.7 OUTLIER -58.21 -36.77 73.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 33.5 t-20 -72.3 -34.02 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.506 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 16.9 m-30 -65.12 -34.73 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.1 p -65.64 -43.81 88.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OD1' ' A' ' 9' ' ' ASN . 4.4 ptm180 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.88 -39.08 76.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -59.38 -38.78 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -57.77 -44.69 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.52 -46.34 89.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 30.5 mtp -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.03 -25.82 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.29 -47.47 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 4.4 mtmp? -65.75 -45.43 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -63.97 -39.61 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.04 -52.84 17.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 24' ' ' ASN . 2.3 pp -64.43 -36.17 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.461 ' N ' HD12 ' A' ' 23' ' ' LEU . 1.4 t30 -71.2 -40.94 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -68.07 -44.67 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.14 -44.01 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -69.12 -41.6 77.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.341 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.53 -39.24 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.92 -54.45 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -67.32 -38.69 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -57.34 -35.93 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 16.1 t-20 -71.45 -41.85 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -67.95 -46.26 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.405 ' CG2' ' HA ' ' A' ' 8' ' ' ASP . 5.9 t -65.01 -41.15 95.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -68.23 -43.06 78.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.34 -39.89 89.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -60.51 -36.74 79.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -59.11 -37.42 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 17.2 mm-40 -70.38 -47.41 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.2 mtm -64.99 -40.16 94.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.82 -25.99 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.6 -49.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -67.12 -39.74 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.08 -41.37 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.8 m-85 -68.25 -53.69 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 4.6 pp -62.36 -38.82 91.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.59 -40.39 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 m -69.46 -49.18 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.55 -43.16 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.53 -41.79 83.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.805 0.336 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.67 -38.75 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -60.36 -54.24 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 8' ' ' ASP . 9.3 t -67.46 -38.61 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' HG21 ' A' ' 7' ' ' THR . 0.9 OUTLIER -56.38 -44.89 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -60.16 -43.78 95.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.81 -42.24 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -63.26 -42.96 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -71.37 -43.17 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.66 -41.76 95.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -59.28 -36.71 76.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -43.96 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -60.7 -46.49 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 8.3 mmt -69.48 -35.64 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -74.11 -25.6 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.67 -49.94 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 3.3 ptpt -67.21 -37.97 84.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 23.1 mmtp -65.83 -37.78 87.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.1 m-85 -72.33 -39.95 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -70.5 -37.88 74.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.557 ' ND2' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -61.1 -48.74 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.547 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 15.0 t -67.08 -33.32 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.38 -44.94 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -37.19 62.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.85 -38.92 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -63.99 -54.12 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 8' ' ' ASP . 11.5 t -63.12 -38.46 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' N ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER -56.29 -38.66 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -69.35 -40.15 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -68.29 -44.21 75.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.3 p -58.4 -48.57 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -68.02 -42.5 80.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.47 -39.65 88.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 2.9 tmm_? -58.91 -35.89 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 17.1 tptm -62.81 -36.41 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 3.3 mm-40 -69.5 -46.82 65.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 12.6 ptp -69.38 -40.68 77.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.94 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -62.23 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 12.7 mtmt -59.2 -42.88 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -58.08 -36.19 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.403 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 4.0 m-85 -68.24 -48.91 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.52 -35.1 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -63.68 -51.45 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 t -69.79 -45.07 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.403 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 58.1 mt -59.59 -56.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.08 -39.22 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -60.24 -54.74 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 t -67.5 -38.28 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.52 -43.32 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -65.95 -46.66 77.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -57.99 -49.81 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -66.78 -40.51 88.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD21 ' CE ' ' A' ' 17' ' ' MET . 8.1 tp -61.96 -38.84 90.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 13.1 ttt180 -58.97 -35.87 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 22.2 tptt -62.84 -36.33 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.6 mm-40 -69.59 -46.82 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 6.0 ptp -69.33 -40.39 77.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -26.47 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.95 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.64 -37.13 77.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -64.23 -36.12 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 4.1 m-85 -69.42 -48.72 60.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.51 -35.39 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -61.75 -51.63 67.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.7 t -69.84 -37.68 76.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 40.7 mt -66.48 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.68 -38.37 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 4.0 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 6' ' ' PHE . 7.2 p -62.33 -39.66 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.414 ' N ' HG11 ' A' ' 5' ' ' VAL . 57.0 m-85 -61.19 -54.31 45.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -65.68 -38.45 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.88 -40.93 73.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -64.38 -42.42 96.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -66.33 -46.06 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -60.93 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -60.78 -42.53 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.74 -39.98 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 1.4 tmt_? -58.94 -36.13 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 16.6 tptt -62.95 -36.44 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 23.2 mm100 -69.31 -46.73 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 11.9 ptp -68.99 -40.9 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -26.49 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.92 -47.62 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.06 -44.27 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.53 -36.18 68.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.15 -49.52 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.29 -48.16 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -69.85 -44.25 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.11 -57.61 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.63 -38.84 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 3.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.76 -40.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.27 -54.66 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -67.75 -38.21 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.78 -42.45 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -70.32 -36.86 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -64.06 -34.03 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 m -66.19 -43.14 87.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.94 -44.45 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.52 -40.22 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.13 -36.72 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -57.58 -45.3 85.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -59.49 -46.54 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 7.2 mmt -69.58 -35.57 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -25.7 60.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -49.77 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -67.15 -37.5 83.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.33 -40.85 96.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.96 -53.1 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 2.3 pp -63.65 -35.33 80.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.78 -45.08 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -68.28 -45.92 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.71 -51.83 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -41.76 76.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.4 -39.41 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -60.25 -54.65 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -67.68 -38.22 83.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.71 -47.62 76.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.435 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 69.6 m-20 -60.17 -36.28 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.11 -43.35 61.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 m -64.84 -42.78 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.88 -44.71 60.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.46 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 6.2 tp -60.37 -42.08 95.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 12.9 ttt85 -58.95 -35.85 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 16.8 tptt -62.75 -36.2 82.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . 6.1 mm-40 -69.76 -46.87 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.473 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 13.5 ptm -69.49 -39.85 77.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.11 -25.6 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.03 -38.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 16' ' ' GLN . 3.0 mppt? -65.7 -41.03 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -38.91 92.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.53 -53.33 19.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -34.17 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.19 -45.17 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -69.74 -48.78 58.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.33 -46.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.99 -40.81 91.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -97.96 121.53 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.7 42.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.25 -42.24 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 6' ' ' PHE . 3.4 p -60.2 -38.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 27.8 m-85 -60.28 -54.35 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 HG21 ' N ' ' A' ' 8' ' ' ASP . 9.0 t -67.63 -38.4 83.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.436 ' N ' HG21 ' A' ' 7' ' ' THR . 0.3 OUTLIER -57.65 -43.78 85.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.54 -44.03 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 17.0 m-85 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.5 m -60.46 -41.48 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -71.77 -43.64 65.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.82 -38.12 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.52 -37.11 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.21 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.2 mm-40 -62.07 -46.18 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -69.42 -37.02 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.85 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.9 -42.67 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.9 mtmt -65.6 -43.87 88.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.01 95.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.06 -52.72 58.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD1' ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.42 -32.85 74.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.44 -44.02 75.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -69.64 -50.16 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.8 mt -50.36 -52.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.28 -41.19 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -38.22 -41.03 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 m170 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' CG ' ' A' ' 3' ' ' ASP . 6.9 t -81.79 -43.14 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 48.15 41.37 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.13 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 6' ' ' PHE . 7.6 p -63.51 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.454 ' N ' HG11 ' A' ' 5' ' ' VAL . 37.9 m-85 -61.12 -54.38 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.62 -38.68 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -43.32 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.7 -42.33 96.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.4 -41.37 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -60.4 -45.33 93.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -69.7 -43.91 71.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.92 -39.75 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.55 -36.88 79.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.4 tppt? -60.43 -40.5 91.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.468 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.0 mm-40 -64.92 -46.15 82.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 mmt -69.48 -36.83 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.71 63.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.96 -41.8 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.1 mtmt -65.65 -42.17 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -64.0 -44.04 93.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.08 -53.02 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.418 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 2.7 pp -63.24 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -65.18 -47.73 75.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -69.85 -45.94 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.49 -50.97 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.01 -42.04 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -38.96 -41.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -80.86 -47.65 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.85 46.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.12 68.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.1 p -64.35 -38.6 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 68.6 m-85 -66.83 -54.52 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.554 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -66.04 -38.46 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.53 -41.06 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -72.27 -27.57 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 11.3 m-30 -60.46 -37.29 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 12' ' ' ARG . 1.2 t -57.95 -40.34 80.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' CG2' ' A' ' 11' ' ' THR . 12.2 mmm180 -60.01 -41.11 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.98 -39.49 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -60.02 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -58.81 -39.95 82.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.5 mm-40 -64.43 -46.19 84.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.5 -36.86 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.19 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.95 -40.63 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 17.8 mtmt -65.66 -42.77 90.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -65.12 -36.87 85.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -53.71 17.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 4.3 pp -59.01 -34.04 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.449 ' CG ' ' OD1' ' A' ' 28' ' ' ASN . 22.8 t30 -62.32 -47.06 85.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.98 -52.23 60.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -58.3 -41.02 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.72 -27.33 44.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 4.2 m120 -69.78 -24.92 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -121.82 164.39 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -160.01 178.63 9.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.1 73.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -62.18 -39.82 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -61.56 -54.48 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.05 -38.52 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -58.15 -47.96 81.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -55.81 -43.16 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -69.83 -42.56 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -59.44 -45.34 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -43.28 67.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -40.14 88.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.81 -36.89 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.41 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 15.3 mm-40 -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mtt -69.55 -36.48 76.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.95 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.92 -47.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.35 -43.83 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.86 -36.2 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.38 -46.92 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.08 -34.92 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -51.25 69.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -69.62 -48.04 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.52 -54.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.1 -40.93 97.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -48.3 -38.09 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m 60.71 42.52 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -13.43 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 -47.04 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.9 p -63.53 -39.33 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -63.41 -54.28 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -66.83 -38.58 86.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -37.03 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.1 -41.66 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -66.14 -44.32 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -58.02 -44.75 87.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -70.38 -39.26 74.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.76 -37.62 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.78 -36.94 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -59.21 -40.0 84.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 32.6 mm-40 -64.55 -46.25 83.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.0 mmm -69.43 -36.87 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.597 ' O ' ' CD2' ' A' ' 22' ' ' TYR . . . -73.09 -32.69 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.88 -47.36 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 7.7 mtmt -65.64 -41.4 92.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.41 -39.94 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 18' ' ' ALA . 23.9 m-85 -66.99 -53.99 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.4 pp -58.68 -36.69 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.516 ' ND2' HD21 ' A' ' 28' ' ' ASN . 7.7 t30 -67.5 -35.95 80.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.465 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 50.1 m -69.81 -46.66 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -68.7 -31.64 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.488 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -80.5 -42.31 22.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.516 HD21 ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -84.46 -20.91 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.62 102.87 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -123.78 172.94 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.13 96.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.5 -38.48 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.494 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 24.4 m-85 -64.15 -54.48 33.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -64.93 -38.38 90.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -41.75 82.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' OD1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -68.36 -42.45 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CD1' ' OD1' ' A' ' 9' ' ' ASN . 18.3 m-85 -64.83 -42.0 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.67 -36.89 79.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -60.72 -36.83 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.38 -43.05 83.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -46.42 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 6.4 mtt -69.62 -36.23 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.19 -26.53 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.82 -46.49 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -56.92 -45.59 82.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -56.82 -36.31 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.87 -46.76 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' O ' ' CG ' ' A' ' 27' ' ' LEU . 8.9 mt -61.63 -33.55 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 4.6 t30 -63.34 -42.19 98.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -69.84 -51.89 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -62.29 -53.36 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.404 ' CG ' ' O ' ' A' ' 23' ' ' LEU . 20.8 mt -61.78 -37.91 86.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 6.3 t-20 -54.72 -34.72 62.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 137.11 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -97.44 -15.5 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.15 -51.22 33.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.6 p -62.26 -38.84 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -60.32 -54.68 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -67.68 -38.22 83.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.02 -39.11 88.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -72.69 -36.78 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -63.51 -47.23 82.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 13' ' ' LEU . 6.1 ptp180 -60.71 -44.49 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.47 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tp -66.82 -36.69 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -59.43 -36.81 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.64 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 1.1 mp0 -60.69 -46.39 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.4 mmm -69.58 -36.34 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.09 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.94 -47.36 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.8 -39.18 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 32.7 mmtt -65.61 -36.19 83.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.482 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 3.4 m-85 -67.26 -36.52 81.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.1 mt -70.3 -33.59 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -72.09 -47.3 52.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.552 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 22.5 t -69.84 -25.64 63.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 52.4 mt -86.04 -56.18 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.57 -42.2 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -105.56 24.29 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -131.53 113.36 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.11 -179.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.05 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.0 p -60.68 -42.58 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -60.98 -54.49 44.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.416 HG21 ' N ' ' A' ' 8' ' ' ASP . 9.0 t -64.14 -38.38 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -56.94 -35.74 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -71.87 -43.1 66.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.05 -42.69 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 5.0 t -64.61 -40.81 96.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' N ' HG23 ' A' ' 11' ' ' THR . 14.2 ttm180 -66.92 -42.62 85.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.94 -38.23 85.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.45 -36.89 76.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -60.03 -45.61 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -60.05 -46.39 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.61 -36.37 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -26.94 61.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.84 -44.28 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -56.76 -42.28 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 3.6 tmmm? -62.43 -40.73 97.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.18 -38.36 86.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -70.66 -33.71 71.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.573 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.573 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 34.5 t -69.88 -25.76 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.78 -58.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.44 -42.32 98.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -106.35 24.98 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.9 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -81.85 104.67 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.2 40.99 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.55 -42.45 74.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.06 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 61.3 m-85 -60.24 -54.5 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.562 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -67.73 -38.35 83.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.454 ' N ' HG21 ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.02 -46.83 84.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.869 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.06 -27.7 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 13.5 m-30 -65.4 -34.28 77.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 m -65.79 -43.97 87.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -44.37 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.85 -40.73 85.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.22 -37.13 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -58.27 -45.01 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.53 -46.05 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.6 mtp -69.51 -37.04 77.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -26.31 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.77 -47.68 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -56.69 -45.83 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 20.3 tptm -60.36 -41.09 92.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 3.2 m-85 -60.59 -38.51 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' N ' ' CD2' ' A' ' 23' ' ' LEU . 1.3 mt -69.33 -38.19 78.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -65.92 -50.53 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.59 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 75.3 p -69.99 -32.98 71.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 55.0 mt -73.49 -59.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.47 -39.01 89.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 12.5 t-20 -57.86 -35.02 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -66.93 128.58 36.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.41 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.43 -46.85 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.16 -39.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 -54.59 43.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.435 HG21 ' N ' ' A' ' 8' ' ' ASP . 15.3 t -67.58 -38.21 83.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.435 ' N ' HG21 ' A' ' 7' ' ' THR . 8.6 m-20 -55.76 -41.88 74.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.92 -42.1 97.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.84 -34.08 77.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -40.39 97.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -72.48 -38.95 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.53 -38.97 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -68.07 -36.89 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.9 tptt -62.81 -37.08 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -70.49 -46.41 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mtt -69.59 -36.13 75.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.6 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.86 -47.48 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 3.1 mtmm -65.8 -37.75 87.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -42.62 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -67.54 -53.62 26.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.413 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 4.5 pp -63.28 -31.13 72.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 31.1 t30 -66.38 -44.3 83.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 t -65.13 -52.3 56.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -59.01 -46.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.81 -29.03 60.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t30 -56.63 -30.63 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.4 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -89.97 47.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.61 -4.7 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.85 -52.07 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.77 -38.23 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -60.19 -54.9 40.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.456 HG21 ' N ' ' A' ' 8' ' ' ASP . 14.7 t -67.2 -37.67 84.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.456 ' N ' HG21 ' A' ' 7' ' ' THR . 1.5 t70 -55.36 -40.32 71.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -71.45 -36.43 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.32 -45.46 80.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -58.05 -43.6 86.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -71.92 -44.57 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.43 -36.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.26 -36.6 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.6 tptp -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.7 mm100 -62.26 -46.46 88.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.61 -36.18 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.19 -33.02 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.9 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 9.0 mtmt -65.67 -42.13 91.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -65.5 -36.24 83.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.6 m-85 -70.15 -53.96 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 4.2 pp -58.6 -34.77 71.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' ND2' ' A' ' 28' ' ' ASN . 25.4 t30 -70.19 -35.41 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.47 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 40.3 t -69.85 -45.93 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -68.88 -31.99 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.494 ' CD1' ' O ' ' A' ' 23' ' ' LEU . 12.2 mt -80.57 -42.25 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -84.64 -20.8 30.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.3 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -107.53 88.39 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.76 -14.52 9.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.47 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.41 -38.53 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -66.44 -39.71 89.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.89 -35.84 66.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -71.89 -44.36 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.5 -46.64 87.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.446 HG23 ' N ' ' A' ' 12' ' ' ARG . 14.5 t -65.04 -41.05 95.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' HG23 ' A' ' 11' ' ' THR . 34.7 ttm-85 -64.82 -41.51 95.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.48 -39.11 91.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -60.93 -37.45 82.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -38.87 85.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.5 mm-40 -66.13 -46.56 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mmm -69.7 -36.01 75.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.85 -26.28 61.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.58 -39.39 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.57 -45.87 84.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.03 -36.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.9 -51.03 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 27' ' ' LEU . 10.4 mt -70.55 -33.05 70.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.0 -45.36 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -69.94 -52.39 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -60.62 -55.04 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 23' ' ' LEU . 19.7 mt -61.46 -35.0 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t-20 -57.59 -32.69 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.8 t60 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -164.45 132.56 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.85 -10.62 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.25 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.464 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.4 p -62.68 -39.29 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.464 ' N ' HG13 ' A' ' 5' ' ' VAL . 46.8 m-85 -61.81 -54.55 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.506 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 9.9 t -67.7 -38.39 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.428 ' N ' HG21 ' A' ' 7' ' ' THR . 0.7 OUTLIER -58.21 -36.77 73.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.911 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 33.5 t-20 -72.3 -34.02 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.506 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 16.9 m-30 -65.12 -34.73 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.1 p -65.64 -43.81 88.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OD1' ' A' ' 9' ' ' ASN . 4.4 ptm180 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.88 -39.08 76.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -59.38 -38.78 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -57.77 -44.69 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.52 -46.34 89.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.463 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 30.5 mtp -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.03 -25.82 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.29 -47.47 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.463 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 4.4 mtmp? -65.75 -45.43 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -63.97 -39.61 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.04 -52.84 17.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 24' ' ' ASN . 2.3 pp -64.43 -36.17 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.461 ' N ' HD12 ' A' ' 23' ' ' LEU . 1.4 t30 -71.2 -40.94 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -68.07 -44.67 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.14 -44.01 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.4 mt -69.12 -41.6 77.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 33.1 m-20 -47.98 -37.52 14.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 48.0 m80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.786 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -108.44 42.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.82 37.63 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.25 86.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.9 p -64.53 -39.24 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -60.92 -54.45 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.5 t -67.32 -38.69 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.405 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -57.34 -35.93 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 16.1 t-20 -71.45 -41.85 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -67.95 -46.26 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.405 ' CG2' ' HA ' ' A' ' 8' ' ' ASP . 5.9 t -65.01 -41.15 95.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -68.23 -43.06 78.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.34 -39.89 89.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -60.51 -36.74 79.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -59.11 -37.42 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 17.2 mm-40 -70.38 -47.41 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 41.2 mtm -64.99 -40.16 94.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.82 -25.99 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -67.6 -49.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -67.12 -39.74 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.08 -41.37 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.8 m-85 -68.25 -53.69 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 4.6 pp -62.36 -38.82 91.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -65.59 -40.39 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 m -69.46 -49.18 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.55 -43.16 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.53 -41.79 83.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -49.96 -37.85 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.509 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -124.49 -7.65 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.27 -6.85 26.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.28 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.67 -38.75 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -60.36 -54.24 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.438 HG21 ' N ' ' A' ' 8' ' ' ASP . 9.3 t -67.46 -38.61 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.438 ' N ' HG21 ' A' ' 7' ' ' THR . 0.9 OUTLIER -56.38 -44.89 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -60.16 -43.78 95.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.81 -42.24 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -63.26 -42.96 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -71.37 -43.17 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.66 -41.76 95.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -59.28 -36.71 76.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -43.96 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -60.7 -46.49 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.428 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 8.3 mmt -69.48 -35.64 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -74.11 -25.6 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.67 -49.94 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HA ' ' CD2' ' A' ' 23' ' ' LEU . 3.3 ptpt -67.21 -37.97 84.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 23.1 mmtp -65.83 -37.78 87.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.1 m-85 -72.33 -39.95 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -70.5 -37.88 74.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.557 ' ND2' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -61.1 -48.74 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.547 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 15.0 t -67.08 -33.32 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.38 -44.94 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.4 mt -74.89 -37.19 62.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -49.82 -34.96 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -120.09 133.14 55.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.19 42.55 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.99 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.85 -38.92 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -63.99 -54.12 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 8' ' ' ASP . 11.5 t -63.12 -38.46 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' N ' HG22 ' A' ' 7' ' ' THR . 0.2 OUTLIER -56.29 -38.66 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -69.35 -40.15 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -68.29 -44.21 75.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.3 p -58.4 -48.57 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -68.02 -42.5 80.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.47 -39.65 88.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 2.9 tmm_? -58.91 -35.89 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 17.1 tptm -62.81 -36.41 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 3.3 mm-40 -69.5 -46.82 65.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 12.6 ptp -69.38 -40.68 77.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.94 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -62.23 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 12.7 mtmt -59.2 -42.88 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -58.08 -36.19 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.403 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 4.0 m-85 -68.24 -48.91 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.52 -35.1 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -63.68 -51.45 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 t -69.79 -45.07 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.403 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 58.1 mt -59.59 -56.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.08 -39.22 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -49.13 -36.29 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -111.95 -47.55 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' HB3' ' CD1' ' A' ' 6' ' ' PHE . 64.0 m-20 -59.38 89.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.88 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.1 p -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.45 ' CD1' ' HB3' ' A' ' 3' ' ' ASP . 11.1 m-85 -60.24 -54.74 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 t -67.5 -38.28 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.52 -43.32 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -65.95 -46.66 77.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -57.99 -49.81 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -66.78 -40.51 88.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD21 ' CE ' ' A' ' 17' ' ' MET . 8.1 tp -61.96 -38.84 90.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.476 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 13.1 ttt180 -58.97 -35.87 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.506 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 22.2 tptt -62.84 -36.33 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.6 mm-40 -69.59 -46.82 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.476 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 6.0 ptp -69.33 -40.39 77.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -26.47 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.95 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.64 -37.13 77.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -64.23 -36.12 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.435 ' O ' ' CD1' ' A' ' 26' ' ' ILE . 4.1 m-85 -69.42 -48.72 60.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.51 -35.39 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -61.75 -51.63 67.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.7 t -69.84 -37.68 76.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 22' ' ' TYR . 40.7 mt -66.48 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.68 -38.37 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 4.0 t30 -45.72 -38.05 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' ASP . 43.2 p -98.84 -56.79 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 36.43 41.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.85 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.414 HG11 ' N ' ' A' ' 6' ' ' PHE . 7.2 p -62.33 -39.66 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.414 ' N ' HG11 ' A' ' 5' ' ' VAL . 57.0 m-85 -61.19 -54.31 45.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -65.68 -38.45 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.88 -40.93 73.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -64.38 -42.42 96.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -66.33 -46.06 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -60.93 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -60.78 -42.53 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.74 -39.98 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 1.4 tmt_? -58.94 -36.13 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 16.6 tptt -62.95 -36.44 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 23.2 mm100 -69.31 -46.73 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 11.9 ptp -68.99 -40.9 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -26.49 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.92 -47.62 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.06 -44.27 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.53 -36.18 68.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.15 -49.52 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.29 -48.16 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -69.85 -44.25 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.11 -57.61 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.63 -38.84 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 3.9 m-20 -50.33 -34.3 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -98.17 105.98 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -137.27 152.02 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.56 80.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.76 -40.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -60.27 -54.66 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -67.75 -38.21 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.78 -42.45 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -70.32 -36.86 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-30 -64.06 -34.03 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 m -66.19 -43.14 87.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.94 -44.45 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.52 -40.22 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.13 -36.72 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -57.58 -45.3 85.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -59.49 -46.54 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.432 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 7.2 mmt -69.58 -35.57 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -25.7 60.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -49.77 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -67.15 -37.5 83.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.33 -40.85 96.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.96 -53.1 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 20' ' ' LYS . 2.3 pp -63.65 -35.33 80.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.78 -45.08 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -68.28 -45.92 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.71 -51.83 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -41.76 76.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -40.5 -39.13 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 m170 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -108.73 -57.24 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -59.01 -14.75 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.41 -40.48 50.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.7 p -63.4 -39.41 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -60.25 -54.65 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -67.68 -38.22 83.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.71 -47.62 76.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 69.6 m-20 -60.17 -36.28 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.11 -43.35 61.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 m -64.84 -42.78 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.88 -44.71 60.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.46 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 6.2 tp -60.37 -42.08 95.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.473 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 12.9 ttt85 -58.95 -35.85 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 16.8 tptt -62.75 -36.2 82.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . 6.1 mm-40 -69.76 -46.87 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.473 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 13.5 ptm -69.49 -39.85 77.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.11 -25.6 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.03 -38.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 16' ' ' GLN . 3.0 mppt? -65.7 -41.03 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -38.91 92.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.53 -53.33 19.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.81 -34.17 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.19 -45.17 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -69.74 -48.78 58.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.33 -46.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 mt -65.99 -40.81 91.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -49.06 -37.91 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.815 0.341 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.2 -38.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 27.8 m-85 -60.28 -54.35 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.63 -38.4 83.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.65 -43.78 85.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -66.54 -44.03 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 17.0 m-85 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.5 m -60.46 -41.48 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -71.77 -43.64 65.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.82 -38.12 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.52 -37.11 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.21 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.2 mm-40 -62.07 -46.18 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -69.42 -37.02 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.85 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.9 -42.67 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.9 mtmt -65.6 -43.87 88.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.01 95.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.06 -52.72 58.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.42 -32.85 74.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.44 -44.02 75.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -69.64 -50.16 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.8 mt -50.36 -52.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.28 -41.19 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.2 t30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.51 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -61.12 -54.38 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.62 -38.68 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -43.32 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.7 -42.33 96.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.4 -41.37 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -60.4 -45.33 93.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -69.7 -43.91 71.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.92 -39.75 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.55 -36.88 79.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tppt? -60.43 -40.5 91.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.468 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 6.6 mm100 -64.92 -46.15 82.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 mmt -69.48 -36.83 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.71 63.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.96 -41.8 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.1 mtmt -65.65 -42.17 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -64.0 -44.04 93.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.08 -53.02 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.7 pp -63.24 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' HD12 ' A' ' 23' ' ' LEU . 1.9 t-20 -65.18 -47.73 75.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -69.85 -45.94 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.49 -50.97 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.01 -42.04 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 5' ' ' VAL . 1.1 p -64.35 -38.6 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 68.6 m-85 -66.83 -54.52 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -66.04 -38.46 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 t70 -56.53 -41.06 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -72.27 -27.57 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 11.3 m-30 -60.46 -37.29 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 8' ' ' ASP . 1.2 t -57.95 -40.34 80.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' CG2' ' A' ' 11' ' ' THR . 12.2 mmm180 -60.01 -41.11 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.98 -39.49 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -60.02 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.1 tptm -58.81 -39.95 82.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.5 mm-40 -64.43 -46.19 84.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.5 -36.86 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.19 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.95 -40.63 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HA ' HD21 ' A' ' 23' ' ' LEU . 17.8 mtmt -65.66 -42.77 90.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -65.12 -36.87 85.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -53.71 17.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.3 pp -59.01 -34.04 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.745 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.8 t30 -62.32 -47.06 85.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.98 -52.23 60.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -58.3 -41.02 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.72 -27.33 44.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 4.2 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -62.18 -39.82 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.7 m-85 -61.56 -54.48 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.05 -38.52 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -58.15 -47.96 81.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -55.81 -43.16 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -69.83 -42.56 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -59.44 -45.34 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -43.28 67.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -40.14 88.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.81 -36.89 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -61.41 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 15.3 mm-40 -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mtt -69.55 -36.48 76.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.95 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.92 -47.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.35 -43.83 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.86 -36.2 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.38 -46.92 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.08 -34.92 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -51.25 69.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -69.62 -48.04 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.52 -54.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.1 -40.93 97.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.859 0.362 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.9 p -63.53 -39.33 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 30.7 m-85 -63.41 -54.28 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -66.83 -38.58 86.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -37.03 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.1 -41.66 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -66.14 -44.32 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -58.02 -44.75 87.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -70.38 -39.26 74.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.76 -37.62 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.78 -36.94 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -59.21 -40.0 84.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 32.6 mm-40 -64.55 -46.25 83.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.0 mmm -69.43 -36.87 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 22' ' ' TYR . . . -73.09 -32.69 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.88 -47.36 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 23' ' ' LEU . 7.7 mtmt -65.64 -41.4 92.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.41 -39.94 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.613 ' CE2' ' HB1' ' A' ' 18' ' ' ALA . 23.9 m-85 -66.99 -53.99 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.4 pp -58.68 -36.69 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 23' ' ' LEU . 28.0 t-20 -67.5 -35.95 80.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 50.1 m -69.81 -46.66 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -68.7 -31.64 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -80.5 -42.31 22.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.35 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.5 -38.48 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.494 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 24.4 m-85 -64.15 -54.48 33.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -64.93 -38.38 90.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -41.75 82.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.591 ' OD1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -68.36 -42.45 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CD1' ' OD1' ' A' ' 9' ' ' ASN . 18.3 m-85 -64.83 -42.0 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.67 -36.89 79.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -60.72 -36.83 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.38 -43.05 83.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.55 -46.42 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.404 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -69.62 -36.23 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.19 -26.53 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.82 -46.49 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 5.9 mtmm -56.92 -45.59 82.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -56.82 -36.31 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.87 -46.76 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HD11 ' A' ' 27' ' ' LEU . 8.9 mt -61.63 -33.55 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 4.6 t30 -63.34 -42.19 98.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -69.84 -51.89 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -62.29 -53.36 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 23' ' ' LEU . 20.8 mt -61.78 -37.91 86.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 6.3 t-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' HD1' ' A' ' 6' ' ' PHE . 2.6 p -62.26 -38.84 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' HD1' HG13 ' A' ' 5' ' ' VAL . 10.8 m-85 -60.32 -54.68 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -67.68 -38.22 83.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.02 -39.11 88.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -72.69 -36.78 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -63.51 -47.23 82.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 13' ' ' LEU . 6.1 ptp180 -60.71 -44.49 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tp -66.82 -36.69 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -59.43 -36.81 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.64 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 1.1 mp0 -60.69 -46.39 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.4 mmm -69.58 -36.34 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.09 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.94 -47.36 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.8 -39.18 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 32.7 mmtt -65.61 -36.19 83.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.633 ' O ' HD12 ' A' ' 26' ' ' ILE . 3.4 m-85 -67.26 -36.52 81.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.1 mt -70.3 -33.59 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -72.09 -47.3 52.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.552 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 22.5 t -69.84 -25.64 63.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 22' ' ' TYR . 52.4 mt -86.04 -56.18 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.57 -42.2 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.0 p -60.68 -42.58 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.419 ' N ' HG13 ' A' ' 5' ' ' VAL . 47.2 m-85 -60.98 -54.49 44.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -64.14 -38.38 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -56.94 -35.74 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -71.87 -43.1 66.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.05 -42.69 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 5.0 t -64.61 -40.81 96.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -66.92 -42.62 85.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.94 -38.23 85.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.45 -36.89 76.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -60.03 -45.61 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -60.05 -46.39 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.61 -36.37 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -26.94 61.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.84 -44.28 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -56.76 -42.28 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 3.6 tmmm? -62.43 -40.73 97.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.18 -38.36 86.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 23' ' ' LEU . 1.3 mt -70.66 -33.71 71.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.573 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.573 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 34.5 t -69.88 -25.76 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.78 -58.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.44 -42.32 98.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.3 p -63.06 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 61.3 m-85 -60.24 -54.5 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -67.73 -38.35 83.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -46.83 84.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.06 -27.7 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 13.5 m-30 -65.4 -34.28 77.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 m -65.79 -43.97 87.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -44.37 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.85 -40.73 85.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.22 -37.13 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -58.27 -45.01 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.53 -46.05 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.6 mtp -69.51 -37.04 77.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -26.31 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.77 -47.68 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -56.69 -45.83 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 20.3 tptm -60.36 -41.09 92.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 3.2 m-85 -60.59 -38.51 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 23' ' ' LEU . 1.3 mt -69.33 -38.19 78.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -65.92 -50.53 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.59 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 75.3 p -69.99 -32.98 71.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 55.0 mt -73.49 -59.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.47 -39.01 89.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 12.5 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.16 -39.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 -54.59 43.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -67.58 -38.21 83.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -55.76 -41.88 74.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.92 -42.1 97.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.84 -34.08 77.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -40.39 97.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -72.48 -38.95 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.53 -38.97 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -68.07 -36.89 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 tptt -62.81 -37.08 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -70.49 -46.41 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mtt -69.59 -36.13 75.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.6 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.86 -47.48 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HA ' HD21 ' A' ' 23' ' ' LEU . 3.1 mtmm -65.8 -37.75 87.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -42.62 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -67.54 -53.62 26.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.5 pp -63.28 -31.13 72.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 31.1 t30 -66.38 -44.3 83.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 t -65.13 -52.3 56.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -59.01 -46.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.81 -29.03 60.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.77 -38.23 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -60.19 -54.9 40.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 4' ' ' ALA . 14.7 t -67.2 -37.67 84.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.36 -40.32 71.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -71.45 -36.43 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.32 -45.46 80.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -58.05 -43.6 86.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -71.92 -44.57 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.43 -36.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.26 -36.6 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HD2' HG23 ' A' ' 19' ' ' VAL . 11.6 tptp -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.7 mm100 -62.26 -46.46 88.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.61 -36.18 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.19 -33.02 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 15' ' ' LYS . 2.3 t -61.9 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 23' ' ' LEU . 9.0 mtmt -65.67 -42.13 91.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -65.5 -36.24 83.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.6 m-85 -70.15 -53.96 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.2 pp -58.6 -34.77 71.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.764 ' N ' HD12 ' A' ' 23' ' ' LEU . 26.8 t-20 -70.19 -35.41 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 40.3 t -69.85 -45.93 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -68.88 -31.99 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 23' ' ' LEU . 12.2 mt -80.57 -42.25 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.41 -38.53 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -66.44 -39.71 89.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.89 -35.84 66.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -71.89 -44.36 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.5 -46.64 87.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 12' ' ' ARG . 14.5 t -65.04 -41.05 95.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' N ' HG23 ' A' ' 11' ' ' THR . 34.7 ttm-85 -64.82 -41.51 95.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.48 -39.11 91.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -60.93 -37.45 82.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.49 -38.87 85.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.5 mm-40 -66.13 -46.56 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mmm -69.7 -36.01 75.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.85 -26.28 61.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.58 -39.39 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.57 -45.87 84.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.03 -36.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.9 -51.03 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' LEU . 10.4 mt -70.55 -33.05 70.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.0 -45.36 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -69.94 -52.39 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -60.62 -55.04 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 23' ' ' LEU . 19.7 mt -61.46 -35.0 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.68 -39.29 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -61.81 -54.55 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.523 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 9.9 t -67.7 -38.39 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.77 73.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 33.5 t-20 -72.3 -34.02 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 16.9 m-30 -65.12 -34.73 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 7' ' ' THR . 40.1 p -65.64 -43.81 88.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OD1' ' A' ' 9' ' ' ASN . 4.4 ptm180 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.88 -39.08 76.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -59.38 -38.78 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -57.77 -44.69 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.52 -46.34 89.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 30.5 mtp -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.03 -25.82 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.29 -47.47 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 4.4 mtmp? -65.75 -45.43 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -63.97 -39.61 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.04 -52.84 17.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.3 pp -64.43 -36.17 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 20.7 t-20 -71.2 -40.94 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -68.07 -44.67 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.14 -44.01 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -69.12 -41.6 77.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.341 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 13.9 p -64.53 -39.24 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 21.6 m-85 -60.92 -54.45 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 11' ' ' THR . 9.5 t -67.32 -38.69 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.414 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -57.34 -35.93 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 16.1 t-20 -71.45 -41.85 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -67.95 -46.26 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 7' ' ' THR . 5.9 t -65.01 -41.15 95.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -68.23 -43.06 78.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.34 -39.89 89.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -60.51 -36.74 79.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tptt -59.11 -37.42 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 13.0 mm100 -70.38 -47.41 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 41.2 mtm -64.99 -40.16 94.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.82 -25.99 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -67.6 -49.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -67.12 -39.74 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.08 -41.37 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.8 m-85 -68.25 -53.69 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.6 pp -62.36 -38.82 91.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 23' ' ' LEU . 3.9 t30 -65.59 -40.39 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 m -69.46 -49.18 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.55 -43.16 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.53 -41.79 83.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.805 0.336 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.67 -38.75 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -60.36 -54.24 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -67.46 -38.61 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -44.89 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -60.16 -43.78 95.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.81 -42.24 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -63.26 -42.96 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -71.37 -43.17 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.66 -41.76 95.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -59.28 -36.71 76.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -43.96 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -60.7 -46.49 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 8.3 mmt -69.48 -35.64 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -74.11 -25.6 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.67 -49.94 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.687 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.3 ptpt -67.21 -37.97 84.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 23.1 mmtp -65.83 -37.78 87.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.1 m-85 -72.33 -39.95 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -70.5 -37.88 74.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.557 ' ND2' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -61.1 -48.74 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.547 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 15.0 t -67.08 -33.32 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.38 -44.94 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 23' ' ' LEU . 20.4 mt -74.89 -37.19 62.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.85 -38.92 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -63.99 -54.12 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -63.12 -38.46 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -38.66 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -69.35 -40.15 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -68.29 -44.21 75.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.3 p -58.4 -48.57 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -68.02 -42.5 80.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.47 -39.65 88.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 2.9 tmm_? -58.91 -35.89 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 tptm -62.81 -36.41 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 3.3 mm-40 -69.5 -46.82 65.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 12.6 ptp -69.38 -40.68 77.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.94 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -62.23 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 12.7 mtmt -59.2 -42.88 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -58.08 -36.19 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.0 m-85 -68.24 -48.91 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.52 -35.1 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -63.68 -51.45 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 t -69.79 -45.07 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 22' ' ' TYR . 58.1 mt -59.59 -56.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.08 -39.22 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 9.1 p -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.419 ' N ' HG13 ' A' ' 5' ' ' VAL . 11.1 m-85 -60.24 -54.74 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 t -67.5 -38.28 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.52 -43.32 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -65.95 -46.66 77.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -57.99 -49.81 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -66.78 -40.51 88.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.96 -38.84 90.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 13.1 ttt180 -58.97 -35.87 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 19' ' ' VAL . 22.2 tptt -62.84 -36.33 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.6 mm-40 -69.59 -46.82 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.488 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 6.0 ptp -69.33 -40.39 77.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -26.47 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.95 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.64 -37.13 77.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -64.23 -36.12 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 m-85 -69.42 -48.72 60.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.51 -35.39 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -61.75 -51.63 67.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.7 t -69.84 -37.68 76.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' TYR . 40.7 mt -66.48 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.68 -38.37 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 4.0 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.33 -39.66 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -61.19 -54.31 45.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -65.68 -38.45 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.88 -40.93 73.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -64.38 -42.42 96.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -66.33 -46.06 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -60.93 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -60.78 -42.53 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.74 -39.98 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 1.4 tmt_? -58.94 -36.13 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.6 tptt -62.95 -36.44 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 23.2 mm100 -69.31 -46.73 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.497 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 11.9 ptp -68.99 -40.9 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -26.49 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.92 -47.62 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.06 -44.27 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.53 -36.18 68.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.15 -49.52 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.29 -48.16 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -69.85 -44.25 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.11 -57.61 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.63 -38.84 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 3.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -67.76 -40.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.6 m-85 -60.27 -54.66 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.406 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 14.7 t -67.75 -38.21 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.78 -42.45 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -70.32 -36.86 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 17.1 m-30 -64.06 -34.03 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 m -66.19 -43.14 87.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.94 -44.45 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.52 -40.22 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.13 -36.72 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -57.58 -45.3 85.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -59.49 -46.54 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 7.2 mmt -69.58 -35.57 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -25.7 60.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -49.77 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -67.15 -37.5 83.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.33 -40.85 96.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.96 -53.1 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.3 pp -63.65 -35.33 80.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 11.9 t-20 -65.78 -45.08 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -68.28 -45.92 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.71 -51.83 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -41.76 76.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.7 p -63.4 -39.41 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 5' ' ' VAL . 11.5 m-85 -60.25 -54.65 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -67.68 -38.22 83.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.71 -47.62 76.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.435 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 69.6 m-20 -60.17 -36.28 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.11 -43.35 61.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 m -64.84 -42.78 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.88 -44.71 60.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 6.2 tp -60.37 -42.08 95.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 12.9 ttt85 -58.95 -35.85 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.8 tptt -62.75 -36.2 82.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . 6.1 mm-40 -69.76 -46.87 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 13.5 ptm -69.49 -39.85 77.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.11 -25.6 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.03 -38.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 16' ' ' GLN . 3.0 mppt? -65.7 -41.03 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -38.91 92.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.53 -53.33 19.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.81 -34.17 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.19 -45.17 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -69.74 -48.78 58.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.33 -46.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 23' ' ' LEU . 7.1 mt -65.99 -40.81 91.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -97.96 121.53 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.7 42.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.25 -42.24 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.2 -38.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 27.8 m-85 -60.28 -54.35 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.63 -38.4 83.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.65 -43.78 85.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -66.54 -44.03 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 17.0 m-85 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.5 m -60.46 -41.48 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -71.77 -43.64 65.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.82 -38.12 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.52 -37.11 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.21 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.2 mm-40 -62.07 -46.18 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -69.42 -37.02 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.85 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.9 -42.67 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.9 mtmt -65.6 -43.87 88.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.01 95.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.06 -52.72 58.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.689 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.42 -32.85 74.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.44 -44.02 75.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -69.64 -50.16 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.8 mt -50.36 -52.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.28 -41.19 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -38.22 -41.03 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 m170 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' CG ' ' A' ' 3' ' ' ASP . 6.9 t -81.79 -43.14 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 48.15 41.37 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.13 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.51 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -61.12 -54.38 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.62 -38.68 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -43.32 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.7 -42.33 96.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.4 -41.37 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -60.4 -45.33 93.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -69.7 -43.91 71.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.92 -39.75 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.55 -36.88 79.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tppt? -60.43 -40.5 91.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.468 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 6.6 mm100 -64.92 -46.15 82.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 mmt -69.48 -36.83 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.71 63.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.96 -41.8 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.1 mtmt -65.65 -42.17 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -64.0 -44.04 93.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.08 -53.02 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.574 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.7 pp -63.24 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' HD12 ' A' ' 23' ' ' LEU . 1.9 t-20 -65.18 -47.73 75.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -69.85 -45.94 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.49 -50.97 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.01 -42.04 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -38.96 -41.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -80.86 -47.65 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.659 ' O ' HG22 ' A' ' 7' ' ' THR . 0.5 OUTLIER -81.85 46.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.12 68.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 5' ' ' VAL . 1.1 p -64.35 -38.6 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 68.6 m-85 -66.83 -54.52 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 3' ' ' ASP . 11.9 t -66.04 -38.46 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 t70 -56.53 -41.06 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -72.27 -27.57 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 11.3 m-30 -60.46 -37.29 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 8' ' ' ASP . 1.2 t -57.95 -40.34 80.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' CG2' ' A' ' 11' ' ' THR . 12.2 mmm180 -60.01 -41.11 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.98 -39.49 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -60.02 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.1 tptm -58.81 -39.95 82.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.5 mm-40 -64.43 -46.19 84.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.5 -36.86 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.19 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.95 -40.63 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HA ' HD21 ' A' ' 23' ' ' LEU . 17.8 mtmt -65.66 -42.77 90.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -65.12 -36.87 85.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -53.71 17.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.3 pp -59.01 -34.04 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.745 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.8 t30 -62.32 -47.06 85.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.98 -52.23 60.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -58.3 -41.02 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.72 -27.33 44.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 4.2 m120 -69.78 -24.92 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 53.9 m80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -121.82 164.39 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -160.01 178.63 9.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.1 73.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -62.18 -39.82 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.7 m-85 -61.56 -54.48 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.05 -38.52 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -58.15 -47.96 81.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -55.81 -43.16 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -69.83 -42.56 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -59.44 -45.34 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -43.28 67.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -40.14 88.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.81 -36.89 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -61.41 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 15.3 mm-40 -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mtt -69.55 -36.48 76.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.95 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.92 -47.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.35 -43.83 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.86 -36.2 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.38 -46.92 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.08 -34.92 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -51.25 69.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -69.62 -48.04 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.52 -54.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.1 -40.93 97.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -48.3 -38.09 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.0 p80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m 60.71 42.52 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -13.43 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 -47.04 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.9 p -63.53 -39.33 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 30.7 m-85 -63.41 -54.28 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -66.83 -38.58 86.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -37.03 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.1 -41.66 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -66.14 -44.32 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -58.02 -44.75 87.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -70.38 -39.26 74.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.76 -37.62 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.78 -36.94 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -59.21 -40.0 84.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 32.6 mm-40 -64.55 -46.25 83.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.0 mmm -69.43 -36.87 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 22' ' ' TYR . . . -73.09 -32.69 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.88 -47.36 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 23' ' ' LEU . 7.7 mtmt -65.64 -41.4 92.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.41 -39.94 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.613 ' CE2' ' HB1' ' A' ' 18' ' ' ALA . 23.9 m-85 -66.99 -53.99 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.4 pp -58.68 -36.69 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 23' ' ' LEU . 28.0 t-20 -67.5 -35.95 80.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 50.1 m -69.81 -46.66 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -68.7 -31.64 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -80.5 -42.31 22.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -84.46 -20.91 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.62 102.87 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -123.78 172.94 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.13 96.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.5 -38.48 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.494 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 24.4 m-85 -64.15 -54.48 33.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -64.93 -38.38 90.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -41.75 82.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' OD1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -68.36 -42.45 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CD1' ' OD1' ' A' ' 9' ' ' ASN . 18.3 m-85 -64.83 -42.0 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.67 -36.89 79.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -60.72 -36.83 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.38 -43.05 83.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -61.55 -46.42 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.404 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -69.62 -36.23 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.19 -26.53 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.82 -46.49 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 5.9 mtmm -56.92 -45.59 82.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -56.82 -36.31 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.87 -46.76 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HD11 ' A' ' 27' ' ' LEU . 8.9 mt -61.63 -33.55 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 4.6 t30 -63.34 -42.19 98.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -69.84 -51.89 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -62.29 -53.36 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 23' ' ' LEU . 20.8 mt -61.78 -37.91 86.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 6.3 t-20 -54.72 -34.72 62.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 137.11 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -97.44 -15.5 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.15 -51.22 33.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' HD1' ' A' ' 6' ' ' PHE . 2.6 p -62.26 -38.84 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' HD1' HG13 ' A' ' 5' ' ' VAL . 10.8 m-85 -60.32 -54.68 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -67.68 -38.22 83.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 -61.02 -39.11 88.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -72.69 -36.78 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -63.51 -47.23 82.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 13' ' ' LEU . 6.1 ptp180 -60.71 -44.49 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tp -66.82 -36.69 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -59.43 -36.81 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.64 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 1.1 mp0 -60.69 -46.39 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.4 mmm -69.58 -36.34 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.09 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.94 -47.36 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.8 -39.18 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 32.7 mmtt -65.61 -36.19 83.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' O ' HD12 ' A' ' 26' ' ' ILE . 3.4 m-85 -67.26 -36.52 81.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.516 HD23 ' N ' ' A' ' 23' ' ' LEU . 4.1 mt -70.3 -33.59 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -72.09 -47.3 52.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.552 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 22.5 t -69.84 -25.64 63.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 22' ' ' TYR . 52.4 mt -86.04 -56.18 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.57 -42.2 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -105.56 24.29 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -131.53 113.36 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.11 -179.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.05 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.0 p -60.68 -42.58 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.419 ' N ' HG13 ' A' ' 5' ' ' VAL . 47.2 m-85 -60.98 -54.49 44.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -64.14 -38.38 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -56.94 -35.74 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -71.87 -43.1 66.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.05 -42.69 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 5.0 t -64.61 -40.81 96.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -66.92 -42.62 85.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.94 -38.23 85.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.45 -36.89 76.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -60.03 -45.61 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -60.05 -46.39 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.61 -36.37 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -26.94 61.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.84 -44.28 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -56.76 -42.28 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 21' ' ' LYS . 3.6 tmmm? -62.43 -40.73 97.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.18 -38.36 86.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.739 HD23 ' N ' ' A' ' 23' ' ' LEU . 1.3 mt -70.66 -33.71 71.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.573 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.573 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 34.5 t -69.88 -25.76 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.78 -58.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.44 -42.32 98.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -106.35 24.98 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.9 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -81.85 104.67 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.2 40.99 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.55 -42.45 74.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.3 p -63.06 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 61.3 m-85 -60.24 -54.5 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -67.73 -38.35 83.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -46.83 84.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.06 -27.7 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 13.5 m-30 -65.4 -34.28 77.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 m -65.79 -43.97 87.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -44.37 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.85 -40.73 85.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.22 -37.13 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -58.27 -45.01 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.53 -46.05 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.6 mtp -69.51 -37.04 77.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -26.31 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.77 -47.68 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -56.69 -45.83 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 20.3 tptm -60.36 -41.09 92.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 3.2 m-85 -60.59 -38.51 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.744 HD23 ' N ' ' A' ' 23' ' ' LEU . 1.3 mt -69.33 -38.19 78.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -65.92 -50.53 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.59 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 75.3 p -69.99 -32.98 71.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 55.0 mt -73.49 -59.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.47 -39.01 89.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 12.5 t-20 -57.86 -35.02 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -66.93 128.58 36.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.41 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.43 -46.85 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.16 -39.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 -54.59 43.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -67.58 -38.21 83.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -55.76 -41.88 74.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.92 -42.1 97.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.84 -34.08 77.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -40.39 97.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -72.48 -38.95 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.53 -38.97 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -68.07 -36.89 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 tptt -62.81 -37.08 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -70.49 -46.41 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mtt -69.59 -36.13 75.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.6 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.86 -47.48 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HA ' HD21 ' A' ' 23' ' ' LEU . 3.1 mtmm -65.8 -37.75 87.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -42.62 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -67.54 -53.62 26.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.5 pp -63.28 -31.13 72.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 31.1 t30 -66.38 -44.3 83.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 t -65.13 -52.3 56.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -59.01 -46.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.81 -29.03 60.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t30 -56.63 -30.63 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.4 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -89.97 47.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.61 -4.7 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 7' ' ' THR . . . -51.85 -52.07 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.77 -38.23 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -60.19 -54.9 40.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 4' ' ' ALA . 14.7 t -67.2 -37.67 84.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.36 -40.32 71.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -71.45 -36.43 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.32 -45.46 80.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -58.05 -43.6 86.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -71.92 -44.57 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.43 -36.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.26 -36.6 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HD2' HG23 ' A' ' 19' ' ' VAL . 11.6 tptp -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.7 mm100 -62.26 -46.46 88.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.61 -36.18 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.19 -33.02 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 15' ' ' LYS . 2.3 t -61.9 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 23' ' ' LEU . 9.0 mtmt -65.67 -42.13 91.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -65.5 -36.24 83.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.6 m-85 -70.15 -53.96 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.2 pp -58.6 -34.77 71.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.764 ' N ' HD12 ' A' ' 23' ' ' LEU . 26.8 t-20 -70.19 -35.41 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 40.3 t -69.85 -45.93 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -68.88 -31.99 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 23' ' ' LEU . 12.2 mt -80.57 -42.25 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -84.64 -20.8 30.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.3 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -107.53 88.39 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.76 -14.52 9.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.47 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.41 -38.53 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -66.44 -39.71 89.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.89 -35.84 66.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -71.89 -44.36 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.5 -46.64 87.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 12' ' ' ARG . 14.5 t -65.04 -41.05 95.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' N ' HG23 ' A' ' 11' ' ' THR . 34.7 ttm-85 -64.82 -41.51 95.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.48 -39.11 91.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -60.93 -37.45 82.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.49 -38.87 85.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.5 mm-40 -66.13 -46.56 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mmm -69.7 -36.01 75.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.85 -26.28 61.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.58 -39.39 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.57 -45.87 84.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.03 -36.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.9 -51.03 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' LEU . 10.4 mt -70.55 -33.05 70.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.0 -45.36 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -69.94 -52.39 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -60.62 -55.04 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 23' ' ' LEU . 19.7 mt -61.46 -35.0 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t-20 -57.59 -32.69 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.8 t60 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -164.45 132.56 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.85 -10.62 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.25 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.68 -39.29 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -61.81 -54.55 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.523 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 9.9 t -67.7 -38.39 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.77 73.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 33.5 t-20 -72.3 -34.02 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 16.9 m-30 -65.12 -34.73 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 7' ' ' THR . 40.1 p -65.64 -43.81 88.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OD1' ' A' ' 9' ' ' ASN . 4.4 ptm180 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.88 -39.08 76.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -59.38 -38.78 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -57.77 -44.69 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.52 -46.34 89.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 30.5 mtp -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.03 -25.82 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.29 -47.47 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 4.4 mtmp? -65.75 -45.43 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -63.97 -39.61 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.04 -52.84 17.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.3 pp -64.43 -36.17 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 20.7 t-20 -71.2 -40.94 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -68.07 -44.67 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.14 -44.01 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -69.12 -41.6 77.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 33.1 m-20 -47.98 -37.52 14.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 48.0 m80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.786 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -108.44 42.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.82 37.63 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.25 86.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 13.9 p -64.53 -39.24 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 21.6 m-85 -60.92 -54.45 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 11' ' ' THR . 9.5 t -67.32 -38.69 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -57.34 -35.93 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' OD1' ' C ' ' A' ' 9' ' ' ASN . 16.1 t-20 -71.45 -41.85 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -67.95 -46.26 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 7' ' ' THR . 5.9 t -65.01 -41.15 95.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -68.23 -43.06 78.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.34 -39.89 89.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -60.51 -36.74 79.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tptt -59.11 -37.42 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 13.0 mm100 -70.38 -47.41 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 41.2 mtm -64.99 -40.16 94.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.82 -25.99 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -67.6 -49.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -67.12 -39.74 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.08 -41.37 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.8 m-85 -68.25 -53.69 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.6 pp -62.36 -38.82 91.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 23' ' ' LEU . 3.9 t30 -65.59 -40.39 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 m -69.46 -49.18 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.55 -43.16 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.53 -41.79 83.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -49.96 -37.85 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.509 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 5' ' ' VAL . 54.5 p -124.49 -7.65 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.27 -6.85 26.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.28 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 2' ' ' SER . 7.3 p -62.67 -38.75 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -60.36 -54.24 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -67.46 -38.61 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -44.89 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -60.16 -43.78 95.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.81 -42.24 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -63.26 -42.96 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -71.37 -43.17 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.66 -41.76 95.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -59.28 -36.71 76.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -43.96 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -60.7 -46.49 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 8.3 mmt -69.48 -35.64 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -74.11 -25.6 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.67 -49.94 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.687 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.3 ptpt -67.21 -37.97 84.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 23.1 mmtp -65.83 -37.78 87.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.1 m-85 -72.33 -39.95 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -70.5 -37.88 74.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.557 ' ND2' ' C ' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -61.1 -48.74 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.547 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 15.0 t -67.08 -33.32 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.38 -44.94 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 23' ' ' LEU . 20.4 mt -74.89 -37.19 62.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -49.82 -34.96 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -120.09 133.14 55.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.19 42.55 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.99 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.85 -38.92 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -63.99 -54.12 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -63.12 -38.46 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -38.66 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -69.35 -40.15 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -68.29 -44.21 75.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.3 p -58.4 -48.57 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -68.02 -42.5 80.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.47 -39.65 88.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 2.9 tmm_? -58.91 -35.89 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 tptm -62.81 -36.41 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 3.3 mm-40 -69.5 -46.82 65.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 12.6 ptp -69.38 -40.68 77.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.94 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -62.23 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 12.7 mtmt -59.2 -42.88 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -58.08 -36.19 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.453 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.0 m-85 -68.24 -48.91 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.52 -35.1 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -63.68 -51.45 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 t -69.79 -45.07 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 22' ' ' TYR . 58.1 mt -59.59 -56.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.08 -39.22 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -49.13 -36.29 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -111.95 -47.55 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 6' ' ' PHE . 64.0 m-20 -59.38 89.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.88 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 9.1 p -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 3' ' ' ASP . 11.1 m-85 -60.24 -54.74 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 t -67.5 -38.28 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.52 -43.32 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -65.95 -46.66 77.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -57.99 -49.81 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -66.78 -40.51 88.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.96 -38.84 90.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 13.1 ttt180 -58.97 -35.87 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 19' ' ' VAL . 22.2 tptt -62.84 -36.33 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.6 mm-40 -69.59 -46.82 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.488 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 6.0 ptp -69.33 -40.39 77.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -26.47 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.95 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.64 -37.13 77.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -64.23 -36.12 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 m-85 -69.42 -48.72 60.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.51 -35.39 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -61.75 -51.63 67.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.7 t -69.84 -37.68 76.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' TYR . 40.7 mt -66.48 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.68 -38.37 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 4.0 t30 -45.72 -38.05 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' ASP . 43.2 p -98.84 -56.79 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 36.43 41.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.85 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.33 -39.66 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -61.19 -54.31 45.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -65.68 -38.45 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.88 -40.93 73.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -64.38 -42.42 96.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -66.33 -46.06 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -60.93 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -60.78 -42.53 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.74 -39.98 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 1.4 tmt_? -58.94 -36.13 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.6 tptt -62.95 -36.44 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 23.2 mm100 -69.31 -46.73 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.497 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 11.9 ptp -68.99 -40.9 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -26.49 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.92 -47.62 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.06 -44.27 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.53 -36.18 68.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.15 -49.52 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.29 -48.16 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -69.85 -44.25 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.11 -57.61 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.63 -38.84 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 3.9 m-20 -50.33 -34.3 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -98.17 105.98 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 7' ' ' THR . 11.7 t0 -137.27 152.02 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.56 80.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -67.76 -40.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.6 m-85 -60.27 -54.66 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 3' ' ' ASP . 14.7 t -67.75 -38.21 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.78 -42.45 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -70.32 -36.86 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 17.1 m-30 -64.06 -34.03 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 m -66.19 -43.14 87.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.94 -44.45 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.52 -40.22 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.13 -36.72 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -57.58 -45.3 85.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -59.49 -46.54 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 7.2 mmt -69.58 -35.57 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -25.7 60.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -49.77 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -67.15 -37.5 83.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.33 -40.85 96.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.96 -53.1 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 23' ' ' LEU . 2.3 pp -63.65 -35.33 80.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 11.9 t-20 -65.78 -45.08 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -68.28 -45.92 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.71 -51.83 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -41.76 76.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -40.5 -39.13 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.551 ' O ' HG12 ' A' ' 5' ' ' VAL . 1.5 t -108.73 -57.24 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -59.01 -14.75 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.41 -40.48 50.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 2' ' ' SER . 11.7 p -63.4 -39.41 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 5' ' ' VAL . 11.5 m-85 -60.25 -54.65 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -67.68 -38.22 83.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.71 -47.62 76.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 69.6 m-20 -60.17 -36.28 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.11 -43.35 61.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 m -64.84 -42.78 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.88 -44.71 60.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 6.2 tp -60.37 -42.08 95.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 12.9 ttt85 -58.95 -35.85 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.8 tptt -62.75 -36.2 82.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . 6.1 mm-40 -69.76 -46.87 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 13.5 ptm -69.49 -39.85 77.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.11 -25.6 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.03 -38.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 16' ' ' GLN . 3.0 mppt? -65.7 -41.03 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -38.91 92.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.53 -53.33 19.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.598 ' C ' HD12 ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.81 -34.17 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.19 -45.17 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -69.74 -48.78 58.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.33 -46.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 23' ' ' LEU . 7.1 mt -65.99 -40.81 91.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -49.06 -37.91 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.815 0.341 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.2 -38.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 27.8 m-85 -60.28 -54.35 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.63 -38.4 83.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.65 -43.78 85.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.54 -44.03 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 17.0 m-85 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.5 m -60.46 -41.48 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -71.77 -43.64 65.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.82 -38.12 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.52 -37.11 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.21 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.2 mm-40 -62.07 -46.18 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -69.42 -37.02 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.85 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.9 -42.67 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.9 mtmt -65.6 -43.87 88.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.01 95.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.06 -52.72 58.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.42 -32.85 74.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.44 -44.02 75.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -69.64 -50.16 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.8 mt -50.36 -52.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.28 -41.19 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.2 t30 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.871 0.367 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.51 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -61.12 -54.38 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.62 -38.68 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -43.32 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.7 -42.33 96.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.4 -41.37 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -60.4 -45.33 93.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -69.7 -43.91 71.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.92 -39.75 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.55 -36.88 79.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tppt? -60.43 -40.5 91.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.468 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.0 mm-40 -64.92 -46.15 82.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 mmt -69.48 -36.83 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.71 63.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.96 -41.8 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.1 mtmt -65.65 -42.17 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -64.0 -44.04 93.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.08 -53.02 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.7 pp -63.24 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -65.18 -47.73 75.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -69.85 -45.94 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.49 -50.97 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.01 -42.04 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.842 0.353 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 5' ' ' VAL . 1.1 p -64.35 -38.6 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 68.6 m-85 -66.83 -54.52 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.566 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -66.04 -38.46 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 t70 -56.53 -41.06 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -72.27 -27.57 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 11.3 m-30 -60.46 -37.29 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 8' ' ' ASP . 1.2 t -57.95 -40.34 80.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' CG2' ' A' ' 11' ' ' THR . 12.2 mmm180 -60.01 -41.11 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.98 -39.49 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -60.02 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.1 tptm -58.81 -39.95 82.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.5 mm-40 -64.43 -46.19 84.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.5 -36.86 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.19 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.95 -40.63 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HA ' HD21 ' A' ' 23' ' ' LEU . 17.8 mtmt -65.66 -42.77 90.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -65.12 -36.87 85.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -53.71 17.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.3 pp -59.01 -34.04 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.745 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.8 t30 -62.32 -47.06 85.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.98 -52.23 60.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -58.3 -41.02 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.72 -27.33 44.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 4.2 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.821 0.343 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -62.18 -39.82 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.7 m-85 -61.56 -54.48 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.05 -38.52 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -58.15 -47.96 81.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -55.81 -43.16 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -69.83 -42.56 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -59.44 -45.34 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -43.28 67.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -40.14 88.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.81 -36.89 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -61.41 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 15.3 mm-40 -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mtt -69.55 -36.48 76.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.95 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.92 -47.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.35 -43.83 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.86 -36.2 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.38 -46.92 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.08 -34.92 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -51.25 69.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -69.62 -48.04 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.52 -54.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.1 -40.93 97.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.922 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.859 0.362 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.9 p -63.53 -39.33 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 30.7 m-85 -63.41 -54.28 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -66.83 -38.58 86.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -37.03 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.1 -41.66 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -66.14 -44.32 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -58.02 -44.75 87.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -70.38 -39.26 74.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.76 -37.62 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.78 -36.94 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -59.21 -40.0 84.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 32.6 mm-40 -64.55 -46.25 83.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.0 mmm -69.43 -36.87 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 22' ' ' TYR . . . -73.09 -32.69 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.88 -47.36 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 23' ' ' LEU . 7.7 mtmt -65.64 -41.4 92.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.41 -39.94 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.613 ' CE2' ' HB1' ' A' ' 18' ' ' ALA . 23.9 m-85 -66.99 -53.99 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.4 pp -58.68 -36.69 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.7 t30 -67.5 -35.95 80.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 50.1 m -69.81 -46.66 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -68.7 -31.64 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -80.5 -42.31 22.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.56 HD22 ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.35 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.5 -38.48 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.494 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 24.4 m-85 -64.15 -54.48 33.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -64.93 -38.38 90.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -41.75 82.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.591 ' OD1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -68.36 -42.45 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CD1' ' OD1' ' A' ' 9' ' ' ASN . 18.3 m-85 -64.83 -42.0 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.67 -36.89 79.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -60.72 -36.83 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.38 -43.05 83.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -46.42 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.404 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -69.62 -36.23 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.19 -26.53 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.82 -46.49 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 5.9 mtmm -56.92 -45.59 82.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -56.82 -36.31 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.87 -46.76 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HD11 ' A' ' 27' ' ' LEU . 8.9 mt -61.63 -33.55 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 4.6 t30 -63.34 -42.19 98.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -69.84 -51.89 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -62.29 -53.36 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 23' ' ' LEU . 20.8 mt -61.78 -37.91 86.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 6.3 t-20 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.834 0.35 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' HD1' ' A' ' 6' ' ' PHE . 2.6 p -62.26 -38.84 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' HD1' HG13 ' A' ' 5' ' ' VAL . 10.8 m-85 -60.32 -54.68 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -67.68 -38.22 83.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.02 -39.11 88.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -72.69 -36.78 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -63.51 -47.23 82.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 13' ' ' LEU . 6.1 ptp180 -60.71 -44.49 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tp -66.82 -36.69 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -59.43 -36.81 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.64 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 1.1 mp0 -60.69 -46.39 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.4 mmm -69.58 -36.34 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.09 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.94 -47.36 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.8 -39.18 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 32.7 mmtt -65.61 -36.19 83.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.633 ' O ' HD12 ' A' ' 26' ' ' ILE . 3.4 m-85 -67.26 -36.52 81.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.1 mt -70.3 -33.59 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -72.09 -47.3 52.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.552 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 22.5 t -69.84 -25.64 63.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 22' ' ' TYR . 52.4 mt -86.04 -56.18 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.57 -42.2 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.785 0.326 . . . . 0.0 111.057 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.0 p -60.68 -42.58 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.419 ' N ' HG13 ' A' ' 5' ' ' VAL . 47.2 m-85 -60.98 -54.49 44.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -64.14 -38.38 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -56.94 -35.74 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -71.87 -43.1 66.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.05 -42.69 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 5.0 t -64.61 -40.81 96.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -66.92 -42.62 85.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.94 -38.23 85.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.45 -36.89 76.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -60.03 -45.61 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -60.05 -46.39 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.61 -36.37 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -26.94 61.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.84 -44.28 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -56.76 -42.28 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 3.6 tmmm? -62.43 -40.73 97.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.18 -38.36 86.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' ' 23' ' ' LEU . 1.3 mt -70.66 -33.71 71.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.573 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.573 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 34.5 t -69.88 -25.76 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.78 -58.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.44 -42.32 98.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.933 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.3 p -63.06 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 61.3 m-85 -60.24 -54.5 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -67.73 -38.35 83.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -46.83 84.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.06 -27.7 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 13.5 m-30 -65.4 -34.28 77.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 m -65.79 -43.97 87.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -44.37 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.85 -40.73 85.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.22 -37.13 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -58.27 -45.01 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.53 -46.05 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.6 mtp -69.51 -37.04 77.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -26.31 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.77 -47.68 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -56.69 -45.83 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 20.3 tptm -60.36 -41.09 92.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.478 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 3.2 m-85 -60.59 -38.51 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.744 ' N ' HD23 ' A' ' 23' ' ' LEU . 1.3 mt -69.33 -38.19 78.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -65.92 -50.53 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.59 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 75.3 p -69.99 -32.98 71.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 55.0 mt -73.49 -59.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.47 -39.01 89.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 12.5 t-20 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.834 0.349 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.16 -39.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 -54.59 43.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -67.58 -38.21 83.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -55.76 -41.88 74.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.92 -42.1 97.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.84 -34.08 77.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -40.39 97.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -72.48 -38.95 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.53 -38.97 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -68.07 -36.89 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 tptt -62.81 -37.08 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -70.49 -46.41 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mtt -69.59 -36.13 75.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.6 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.86 -47.48 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HA ' HD21 ' A' ' 23' ' ' LEU . 3.1 mtmm -65.8 -37.75 87.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -42.62 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -67.54 -53.62 26.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.5 pp -63.28 -31.13 72.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 31.1 t30 -66.38 -44.3 83.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 t -65.13 -52.3 56.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -59.01 -46.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.81 -29.03 60.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 7' ' ' THR . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.787 0.327 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.77 -38.23 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -60.19 -54.9 40.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 4' ' ' ALA . 14.7 t -67.2 -37.67 84.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.36 -40.32 71.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -71.45 -36.43 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.32 -45.46 80.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -58.05 -43.6 86.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -71.92 -44.57 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.43 -36.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.26 -36.6 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HD2' HG23 ' A' ' 19' ' ' VAL . 11.6 tptp -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.7 mm100 -62.26 -46.46 88.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.61 -36.18 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.19 -33.02 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 15' ' ' LYS . 2.3 t -61.9 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 23' ' ' LEU . 9.0 mtmt -65.67 -42.13 91.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -65.5 -36.24 83.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.6 m-85 -70.15 -53.96 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.2 pp -58.6 -34.77 71.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.764 ' N ' HD12 ' A' ' 23' ' ' LEU . 25.4 t30 -70.19 -35.41 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 40.3 t -69.85 -45.93 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -68.88 -31.99 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 23' ' ' LEU . 12.2 mt -80.57 -42.25 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.349 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.41 -38.53 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -66.44 -39.71 89.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.89 -35.84 66.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -71.89 -44.36 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.5 -46.64 87.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 12' ' ' ARG . 14.5 t -65.04 -41.05 95.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.444 ' N ' HG23 ' A' ' 11' ' ' THR . 34.7 ttm-85 -64.82 -41.51 95.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.48 -39.11 91.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -60.93 -37.45 82.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.49 -38.87 85.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.506 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.5 mm-40 -66.13 -46.56 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mmm -69.7 -36.01 75.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.85 -26.28 61.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.58 -39.39 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.57 -45.87 84.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.03 -36.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.9 -51.03 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' LEU . 10.4 mt -70.55 -33.05 70.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.0 -45.36 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -69.94 -52.39 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -60.62 -55.04 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 23' ' ' LEU . 19.7 mt -61.46 -35.0 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.68 -39.29 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -61.81 -54.55 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.523 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 9.9 t -67.7 -38.39 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.77 73.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 33.5 t-20 -72.3 -34.02 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 16.9 m-30 -65.12 -34.73 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 7' ' ' THR . 40.1 p -65.64 -43.81 88.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OD1' ' A' ' 9' ' ' ASN . 4.4 ptm180 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.88 -39.08 76.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -59.38 -38.78 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -57.77 -44.69 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.52 -46.34 89.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 30.5 mtp -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.03 -25.82 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.29 -47.47 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 4.4 mtmp? -65.75 -45.43 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -63.97 -39.61 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.04 -52.84 17.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.3 pp -64.43 -36.17 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 1.4 t30 -71.2 -40.94 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -68.07 -44.67 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.14 -44.01 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -69.12 -41.6 77.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.1 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.909 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.817 0.341 . . . . 0.0 111.061 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 13.9 p -64.53 -39.24 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 21.6 m-85 -60.92 -54.45 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 11' ' ' THR . 9.5 t -67.32 -38.69 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.414 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -57.34 -35.93 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 9' ' ' ASN . 16.1 t-20 -71.45 -41.85 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -67.95 -46.26 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 7' ' ' THR . 5.9 t -65.01 -41.15 95.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -68.23 -43.06 78.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.34 -39.89 89.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -60.51 -36.74 79.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tptt -59.11 -37.42 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 17.2 mm-40 -70.38 -47.41 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 41.2 mtm -64.99 -40.16 94.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.82 -25.99 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -67.6 -49.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -67.12 -39.74 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.08 -41.37 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.8 m-85 -68.25 -53.69 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.6 pp -62.36 -38.82 91.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 23' ' ' LEU . 3.9 t30 -65.59 -40.39 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 m -69.46 -49.18 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.55 -43.16 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.53 -41.79 83.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.913 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.805 0.336 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.3 p -62.67 -38.75 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -60.36 -54.24 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -67.46 -38.61 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -44.89 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -60.16 -43.78 95.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.81 -42.24 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -63.26 -42.96 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -71.37 -43.17 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.66 -41.76 95.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -59.28 -36.71 76.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -43.96 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -60.7 -46.49 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 8.3 mmt -69.48 -35.64 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -74.11 -25.6 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.67 -49.94 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.687 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.3 ptpt -67.21 -37.97 84.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 23.1 mmtp -65.83 -37.78 87.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.1 m-85 -72.33 -39.95 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -70.5 -37.88 74.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.557 ' C ' ' ND2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -61.1 -48.74 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.547 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 15.0 t -67.08 -33.32 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.38 -44.94 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 23' ' ' LEU . 20.4 mt -74.89 -37.19 62.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.902 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.859 0.361 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.85 -38.92 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -63.99 -54.12 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -63.12 -38.46 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -38.66 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -69.35 -40.15 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -68.29 -44.21 75.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.3 p -58.4 -48.57 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -68.02 -42.5 80.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.47 -39.65 88.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 2.9 tmm_? -58.91 -35.89 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 tptm -62.81 -36.41 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 3.3 mm-40 -69.5 -46.82 65.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 12.6 ptp -69.38 -40.68 77.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.94 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -62.23 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 12.7 mtmt -59.2 -42.88 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -58.08 -36.19 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.453 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.0 m-85 -68.24 -48.91 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.52 -35.1 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -63.68 -51.45 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 t -69.79 -45.07 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 22' ' ' TYR . 58.1 mt -59.59 -56.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.08 -39.22 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.854 0.359 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 9.1 p -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.419 ' N ' HG13 ' A' ' 5' ' ' VAL . 11.1 m-85 -60.24 -54.74 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 t -67.5 -38.28 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.52 -43.32 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -65.95 -46.66 77.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -57.99 -49.81 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -66.78 -40.51 88.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.96 -38.84 90.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 13.1 ttt180 -58.97 -35.87 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 19' ' ' VAL . 22.2 tptt -62.84 -36.33 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.6 mm-40 -69.59 -46.82 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.488 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 6.0 ptp -69.33 -40.39 77.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -26.47 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.95 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.64 -37.13 77.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -64.23 -36.12 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 m-85 -69.42 -48.72 60.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.51 -35.39 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -61.75 -51.63 67.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.7 t -69.84 -37.68 76.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' TYR . 40.7 mt -66.48 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.68 -38.37 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 4.0 t30 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.33 -39.66 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -61.19 -54.31 45.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -65.68 -38.45 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.88 -40.93 73.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -64.38 -42.42 96.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -66.33 -46.06 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -60.93 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -60.78 -42.53 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.74 -39.98 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 1.4 tmt_? -58.94 -36.13 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.6 tptt -62.95 -36.44 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 23.2 mm100 -69.31 -46.73 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.497 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 11.9 ptp -68.99 -40.9 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -26.49 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.92 -47.62 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.06 -44.27 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.53 -36.18 68.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.15 -49.52 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.29 -48.16 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -69.85 -44.25 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.11 -57.61 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.63 -38.84 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 3.9 m-20 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.831 0.348 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -67.76 -40.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.428 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.6 m-85 -60.27 -54.66 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.406 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 14.7 t -67.75 -38.21 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.78 -42.45 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -70.32 -36.86 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 17.1 m-30 -64.06 -34.03 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 m -66.19 -43.14 87.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.94 -44.45 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.52 -40.22 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.13 -36.72 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -57.58 -45.3 85.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -59.49 -46.54 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 7.2 mmt -69.58 -35.57 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -25.7 60.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -49.77 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -67.15 -37.5 83.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.33 -40.85 96.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.96 -53.1 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.3 pp -63.65 -35.33 80.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.78 -45.08 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -68.28 -45.92 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.71 -51.83 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -41.76 76.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.87 0.367 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.407 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.7 p -63.4 -39.41 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 5' ' ' VAL . 11.5 m-85 -60.25 -54.65 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -67.68 -38.22 83.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.71 -47.62 76.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.435 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 69.6 m-20 -60.17 -36.28 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.11 -43.35 61.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 m -64.84 -42.78 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.88 -44.71 60.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 6.2 tp -60.37 -42.08 95.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 12.9 ttt85 -58.95 -35.85 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.8 tptt -62.75 -36.2 82.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . 6.1 mm-40 -69.76 -46.87 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 13.5 ptm -69.49 -39.85 77.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.11 -25.6 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.03 -38.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 16' ' ' GLN . 3.0 mppt? -65.7 -41.03 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -38.91 92.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.53 -53.33 19.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.81 -34.17 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.19 -45.17 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -69.74 -48.78 58.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.33 -46.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 23' ' ' LEU . 7.1 mt -65.99 -40.81 91.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.827 0.346 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.1 p -97.96 121.53 39.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -83.7 42.43 0.85 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.25 -42.24 79.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.082 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.4 p -60.2 -38.61 77.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 27.8 m-85 -60.28 -54.35 46.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.63 -38.4 83.85 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.145 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -57.65 -43.78 85.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -66.54 -44.03 83.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.945 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.515 ' CD2' ' O ' ' A' ' 6' ' ' PHE . 17.0 m-85 -64.37 -40.89 96.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.5 m -60.46 -41.48 94.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.1 ttm-85 -71.77 -43.64 65.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -61.82 -38.12 86.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -59.52 -37.11 77.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.73 -42.21 88.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.2 mm-40 -62.07 -46.18 90.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.967 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.2 mmt -69.42 -37.02 77.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -29.85 63.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.151 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.9 -42.67 95.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.9 mtmt -65.6 -43.87 88.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.01 95.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -64.06 -52.72 58.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.689 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.5 OUTLIER -64.42 -32.85 74.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.931 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -68.44 -44.02 75.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.8 m -69.64 -50.16 46.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 24.8 mt -50.36 -52.59 14.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.069 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.6 mt -68.28 -41.19 81.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 33.2 t30 -38.22 -41.03 0.57 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.93 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.503 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 29.4 m170 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.803 0.335 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.45 ' C ' ' CG ' ' A' ' 3' ' ' ASP . 6.9 t -81.79 -43.14 18.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.845 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.45 ' CG ' ' C ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 48.15 41.37 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.859 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.39 -40.13 95.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.134 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.6 p -63.51 -39.95 87.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -61.12 -54.38 45.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -67.62 -38.68 84.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.114 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.94 -43.32 81.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -60.7 -42.33 96.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -69.4 -41.37 76.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 91.1 m -60.4 -45.33 93.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttt-85 -69.7 -43.91 71.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.921 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.92 -39.75 90.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 tmt_? -60.55 -36.88 79.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.836 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 11.4 tppt? -60.43 -40.5 91.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.468 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 5.0 mm-40 -64.92 -46.15 82.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.1 mmt -69.48 -36.83 76.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.851 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -29.71 63.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.96 -41.8 92.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 19.1 mtmt -65.65 -42.17 91.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -64.0 -44.04 93.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -67.08 -53.02 34.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.7 pp -63.24 -31.45 72.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.416 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.7 OUTLIER -65.18 -47.73 75.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 43.4 t -69.85 -45.94 66.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 61.0 mt -53.49 -50.97 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.01 -42.04 81.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -38.96 -41.38 0.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.248 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.449 179.991 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -80.86 -47.65 13.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.659 ' O ' HG22 ' A' ' 7' ' ' THR . 0.5 OUTLIER -81.85 46.96 1.04 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.14 -47.12 68.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.403 ' H ' HG12 ' A' ' 5' ' ' VAL . 1.1 p -64.35 -38.6 82.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.575 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 68.6 m-85 -66.83 -54.52 21.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 3' ' ' ASP . 11.9 t -66.04 -38.46 88.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.519 ' O ' HG22 ' A' ' 11' ' ' THR . 1.5 t70 -56.53 -41.06 76.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -72.27 -27.57 62.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.882 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.575 ' CD1' ' O ' ' A' ' 6' ' ' PHE . 11.3 m-30 -60.46 -37.29 80.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.519 HG22 ' O ' ' A' ' 8' ' ' ASP . 1.2 t -57.95 -40.34 80.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.446 ' N ' ' CG2' ' A' ' 11' ' ' THR . 12.2 mmm180 -60.01 -41.11 91.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.6 tp -68.98 -39.49 79.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.2 ttt85 -60.02 -37.03 78.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' O ' HG23 ' A' ' 19' ' ' VAL . 8.1 tptm -58.81 -39.95 82.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.5 mm-40 -64.43 -46.19 84.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 7.8 mmt -69.5 -36.86 76.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.02 -29.19 62.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.114 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.95 -40.63 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.554 ' HA ' HD21 ' A' ' 23' ' ' LEU . 17.8 mtmt -65.66 -42.77 90.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.4 tmtm? -65.12 -36.87 85.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.901 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -69.51 -53.71 17.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.745 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.3 pp -59.01 -34.04 71.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.966 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.745 ' N ' HD12 ' A' ' 23' ' ' LEU . 22.8 t30 -62.32 -47.06 85.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.896 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.2 m -63.98 -52.23 60.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -58.3 -41.02 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.72 -27.33 44.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.449 ' OD1' ' CG ' ' A' ' 24' ' ' ASN . 4.2 m120 -69.78 -24.92 63.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.491 179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 42.5 m-70 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.757 0.313 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -121.82 164.39 17.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -160.01 178.63 9.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -66.84 -47.1 73.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -62.18 -39.82 85.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.077 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.413 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.7 m-85 -61.56 -54.48 42.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.9 t -66.05 -38.52 88.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.145 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -58.15 -47.96 81.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.848 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -55.81 -43.16 76.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.9 m-85 -69.83 -42.56 73.48 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.4 m -59.44 -45.34 91.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.164 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.25 -43.28 67.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -40.14 88.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -59.81 -36.89 77.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.857 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.1 OUTLIER -61.41 -43.44 98.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.499 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 15.3 mm-40 -63.24 -46.26 87.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.959 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 9.9 mtt -69.55 -36.48 76.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.95 61.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.92 -47.43 93.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.143 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.499 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.35 -43.83 83.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -57.86 -36.2 71.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -67.38 -46.92 71.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.08 -34.92 75.88 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.54 -51.25 69.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.931 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 t -69.62 -48.04 61.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.0 mt -58.52 -54.07 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.176 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 24.1 mt -62.1 -40.93 97.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -48.3 -38.09 18.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.472 -179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 m 60.71 42.52 13.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.31 -13.43 59.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.821 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 -47.04 66.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 11.9 p -63.53 -39.33 84.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.09 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 30.7 m-85 -63.41 -54.28 39.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -66.83 -38.58 86.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -37.03 68.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -70.1 -41.66 73.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.947 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -66.14 -44.32 84.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.912 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.2 p -58.02 -44.75 87.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.143 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -70.38 -39.26 74.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.82 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.1 tp -63.76 -37.62 88.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.921 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 ttm180 -59.78 -36.94 77.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -59.21 -40.0 84.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 32.6 mm-40 -64.55 -46.25 83.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.865 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 50.0 mmm -69.43 -36.87 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.613 ' HB1' ' CE2' ' A' ' 22' ' ' TYR . . . -73.09 -32.69 65.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.073 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.88 -47.36 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.12 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.53 ' HA ' HD21 ' A' ' 23' ' ' LEU . 7.7 mtmt -65.64 -41.4 92.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.4 mmmm -65.41 -39.94 92.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.613 ' CE2' ' HB1' ' A' ' 18' ' ' ALA . 23.9 m-85 -66.99 -53.99 26.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.939 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.867 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.4 pp -58.68 -36.69 74.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.867 ' N ' HD12 ' A' ' 23' ' ' LEU . 7.7 t30 -67.5 -35.95 80.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.875 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.473 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 50.1 m -69.81 -46.66 65.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.833 -179.809 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.503 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.8 OUTLIER -68.7 -31.64 51.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.162 179.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.677 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -80.5 -42.31 22.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.56 HD22 ' ND2' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -84.46 -20.91 30.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.1 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.804 0.335 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.62 102.87 14.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -123.78 172.94 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -62.8 -40.13 96.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.129 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 p -67.5 -38.48 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.104 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.494 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 24.4 m-85 -64.15 -54.48 33.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -64.93 -38.38 90.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.73 -41.75 82.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.591 ' OD1' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -68.36 -42.45 79.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.591 ' CD1' ' OD1' ' A' ' 9' ' ' ASN . 18.3 m-85 -64.83 -42.0 95.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.4 m -59.41 -46.72 87.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.169 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -64.64 -43.67 92.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.86 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.67 -36.89 79.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 ttp180 -60.72 -36.83 79.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -57.38 -43.05 83.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -46.42 89.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.931 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.404 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 6.4 mtt -69.62 -36.23 75.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.19 -26.53 61.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.086 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.82 -46.49 96.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.104 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 5.9 mtmm -56.92 -45.59 82.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -56.82 -36.31 69.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -66.87 -46.76 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.409 ' HB3' HD11 ' A' ' 27' ' ' LEU . 8.9 mt -61.63 -33.55 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.903 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 4.6 t30 -63.34 -42.19 98.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 13.5 t -69.84 -51.89 29.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -62.29 -53.36 48.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.133 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.409 HD11 ' HB3' ' A' ' 23' ' ' LEU . 20.8 mt -61.78 -37.91 86.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.491 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 6.3 t-20 -54.72 -34.72 62.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.463 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.4 p-80 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.823 0.344 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 m -81.32 137.11 35.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.844 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -97.44 -15.5 20.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.15 -51.22 33.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.125 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' HD1' ' A' ' 6' ' ' PHE . 2.6 p -62.26 -38.84 82.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' HD1' HG13 ' A' ' 5' ' ' VAL . 10.8 m-85 -60.32 -54.68 42.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.86 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.2 t -67.68 -38.22 83.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.182 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.7 -45.71 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -61.02 -39.11 88.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -72.69 -36.78 67.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.6 m -63.51 -47.23 82.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.143 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.479 ' HG3' ' N ' ' A' ' 13' ' ' LEU . 6.1 ptp180 -60.71 -44.49 96.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.479 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 14.3 tp -66.82 -36.69 82.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -59.43 -36.81 76.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.66 -45.64 93.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.497 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 1.1 mp0 -60.69 -46.39 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.926 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 43.4 mmm -69.58 -36.34 76.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.854 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.12 -28.09 62.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.94 -47.36 93.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.156 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -56.8 -39.18 73.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.406 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 32.7 mmtt -65.61 -36.19 83.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.633 ' O ' HD12 ' A' ' 26' ' ' ILE . 3.4 m-85 -67.26 -36.52 81.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.939 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.516 ' N ' HD23 ' A' ' 23' ' ' LEU . 4.1 mt -70.3 -33.59 71.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.919 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.552 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -72.09 -47.3 52.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.552 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 22.5 t -69.84 -25.64 63.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 22' ' ' TYR . 52.4 mt -86.04 -56.18 5.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.166 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.4 mt -61.57 -42.2 98.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -105.56 24.29 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 17.4 m170 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.828 0.347 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 m -131.53 113.36 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.826 -179.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -110.11 -179.66 3.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -53.52 -44.05 68.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.057 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.0 p -60.68 -42.58 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.419 ' N ' HG13 ' A' ' 5' ' ' VAL . 47.2 m-85 -60.98 -54.49 44.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -64.14 -38.38 90.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.459 ' O ' ' CG2' ' A' ' 11' ' ' THR . 0.3 OUTLIER -56.94 -35.74 69.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -71.87 -43.1 66.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -61.05 -42.69 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.952 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 ' CG2' ' O ' ' A' ' 8' ' ' ASP . 5.0 t -64.61 -40.81 96.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.157 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -66.92 -42.62 85.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.7 tp -66.94 -38.23 85.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.4 tpp180 -59.45 -36.89 76.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -60.03 -45.61 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -60.05 -46.39 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 3.0 mmt -69.61 -36.37 76.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.04 -26.94 61.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.074 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.84 -44.28 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 mtmm -56.76 -42.28 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' C ' ' HD2' ' A' ' 21' ' ' LYS . 3.6 tmmm? -62.43 -40.73 97.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -61.18 -38.36 86.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.739 ' N ' HD23 ' A' ' 23' ' ' LEU . 1.3 mt -70.66 -33.71 71.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.573 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -70.21 -49.94 45.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.573 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 34.5 t -69.88 -25.76 63.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.78 -58.85 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.135 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 15.2 mt -61.44 -42.32 98.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -106.35 24.98 11.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.499 ' CA ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.485 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.9 m80 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.801 0.334 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -81.85 104.67 12.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.807 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 57.2 40.99 27.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.843 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.55 -42.45 74.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.11 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 6' ' ' PHE . 7.3 p -63.06 -40.61 89.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 61.3 m-85 -60.24 -54.5 45.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.576 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 11.9 t -67.73 -38.35 83.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.02 -46.83 84.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.919 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -63.06 -27.7 69.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 13.5 m-30 -65.4 -34.28 77.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 m -65.79 -43.97 87.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -44.37 61.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.825 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.6 tp -58.85 -40.73 85.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 ttt180 -59.22 -37.13 76.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -58.27 -45.01 88.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -59.53 -46.05 89.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 36.6 mtp -69.51 -37.04 77.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -26.31 61.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.77 -47.68 92.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.079 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mtmt -56.69 -45.83 81.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 20.3 tptm -60.36 -41.09 92.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.478 ' O ' ' CG1' ' A' ' 26' ' ' ILE . 3.2 m-85 -60.59 -38.51 84.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.744 ' N ' HD23 ' A' ' 23' ' ' LEU . 1.3 mt -69.33 -38.19 78.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.93 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.59 ' ND2' ' N ' ' A' ' 25' ' ' SER . 0.0 OUTLIER -65.92 -50.53 64.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.59 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 75.3 p -69.99 -32.98 71.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.872 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.478 ' CG1' ' O ' ' A' ' 22' ' ' TYR . 55.0 mt -73.49 -59.09 3.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.13 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.1 mt -61.47 -39.01 89.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.502 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 12.5 t-20 -57.86 -35.02 70.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.523 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.6 t-80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.837 0.351 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.7 t -66.93 128.58 36.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.41 48.37 1.39 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.43 -46.85 48.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.112 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.1 p -60.16 -39.03 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 21.3 m-85 -60.22 -54.59 43.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 15.3 t -67.58 -38.21 83.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -55.76 -41.88 74.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -63.92 -42.1 97.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -65.84 -34.08 77.33 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 50.0 m -63.15 -40.39 97.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.123 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.6 mtt180 -72.48 -38.95 68.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.854 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.53 -38.97 71.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.6 ptt85 -68.07 -36.89 80.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 19' ' ' VAL . 20.9 tptt -62.81 -37.08 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -70.49 -46.41 63.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 8.7 mtt -69.59 -36.13 75.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.07 -26.6 61.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.86 -47.48 93.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HA ' HD21 ' A' ' 23' ' ' LEU . 3.1 mtmm -65.8 -37.75 87.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.44 -42.62 92.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -67.54 -53.62 26.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.5 pp -63.28 -31.13 72.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 31.1 t30 -66.38 -44.3 83.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 29.3 t -65.13 -52.3 56.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.507 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -59.01 -46.93 91.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.087 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 41.3 mt -74.81 -29.03 60.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t30 -56.63 -30.63 63.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.921 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.449 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 26.4 t60 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.794 0.33 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -89.97 47.81 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.835 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -68.61 -4.7 16.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.425 ' O ' HG22 ' A' ' 7' ' ' THR . . . -51.85 -52.07 52.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.77 -38.23 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.12 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 39.1 m-85 -60.19 -54.9 40.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 4' ' ' ALA . 14.7 t -67.2 -37.67 84.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.36 -40.32 71.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -71.45 -36.43 71.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.925 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.9 m-30 -66.32 -45.46 80.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.968 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.6 p -58.05 -43.6 86.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.9 ptt85 -71.92 -44.57 63.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.2 tp -58.43 -36.67 73.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.26 -36.6 75.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' HD2' HG23 ' A' ' 19' ' ' VAL . 11.6 tptp -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.88 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 20.7 mm100 -62.26 -46.46 88.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 24.7 mtm -69.61 -36.18 75.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.423 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.19 -33.02 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 HG23 ' HD2' ' A' ' 15' ' ' LYS . 2.3 t -61.9 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.133 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.571 ' HA ' HD21 ' A' ' 23' ' ' LEU . 9.0 mtmt -65.67 -42.13 91.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -65.5 -36.24 83.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.837 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.6 m-85 -70.15 -53.96 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.918 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.764 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.2 pp -58.6 -34.77 71.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.764 ' N ' HD12 ' A' ' 23' ' ' LEU . 25.4 t30 -70.19 -35.41 73.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 28' ' ' ASN . 40.3 t -69.85 -45.93 66.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.501 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.7 OUTLIER -68.88 -31.99 52.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.091 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 23' ' ' LEU . 12.2 mt -80.57 -42.25 22.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 0.6 OUTLIER -84.64 -20.8 30.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 179.907 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 25' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.3 t60 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.766 0.317 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -107.53 88.39 2.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -119.76 -14.52 9.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.92 -48.47 51.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.8 p -62.41 -38.53 81.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 42.5 m-85 -62.28 -54.48 40.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.2 t -66.44 -39.71 89.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.122 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -55.89 -35.84 66.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.878 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -71.89 -44.36 63.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.947 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -62.5 -46.64 87.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.444 HG23 ' N ' ' A' ' 12' ' ' ARG . 14.5 t -65.04 -41.05 95.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.096 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.444 ' N ' HG23 ' A' ' 11' ' ' THR . 34.7 ttm-85 -64.82 -41.51 95.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.848 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 tp -65.48 -39.11 91.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.2 ttm-85 -60.93 -37.45 82.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.534 ' O ' HG23 ' A' ' 19' ' ' VAL . 0.0 OUTLIER -60.49 -38.87 85.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.506 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.5 mm-40 -66.13 -46.56 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . . . . . . . . . 19.8 mmm -69.7 -36.01 75.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.85 -26.28 61.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -61.58 -39.39 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.506 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -57.57 -45.87 84.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.9 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.9 mmtp -64.03 -36.53 84.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.89 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -61.9 -51.03 69.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HB3' HD11 ' A' ' 27' ' ' LEU . 10.4 mt -70.55 -33.05 70.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.5 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.6 OUTLIER -62.0 -45.36 93.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.0 m -69.94 -52.39 24.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' N ' ' CD1' ' A' ' 26' ' ' ILE . 0.6 OUTLIER -60.62 -55.04 27.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.551 HD11 ' HB3' ' A' ' 23' ' ' LEU . 19.7 mt -61.46 -35.0 76.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.2 t-20 -57.59 -32.69 67.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.455 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 28.8 t60 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -164.45 132.56 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -59.85 -10.62 4.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.59 -51.25 50.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.4 p -62.68 -39.29 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.131 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -61.81 -54.55 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.523 ' HA ' ' CD2' ' A' ' 10' ' ' TYR . 9.9 t -67.7 -38.39 83.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.21 -36.77 73.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.844 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.402 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 33.5 t-20 -72.3 -34.02 67.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 16.9 m-30 -65.12 -34.73 79.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 7' ' ' THR . 40.1 p -65.64 -43.81 88.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.15 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.402 ' NH1' ' OD1' ' A' ' 9' ' ' ASN . 4.4 ptm180 -72.9 -44.61 61.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 13.7 tp -57.88 -39.08 76.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -59.38 -38.78 81.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.3 tptp -57.77 -44.69 86.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -59.52 -46.34 89.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.475 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 30.5 mtp -69.64 -36.34 76.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.03 -25.82 61.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -61.29 -47.47 93.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.068 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' CE ' ' HA ' ' A' ' 17' ' ' MET . 4.4 mtmp? -65.75 -45.43 82.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.939 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 42.1 mmtt -63.97 -39.61 94.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -71.04 -52.84 17.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.555 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.3 pp -64.43 -36.17 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 1.4 t30 -71.2 -40.94 70.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.0 t -68.07 -44.67 75.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.2 mt -58.14 -44.01 86.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 23' ' ' LEU . 10.4 mt -69.12 -41.6 77.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' GLY . 33.1 m-20 -47.98 -37.52 14.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' ASN . . . . . . . . 0 N--CA 1.452 -0.26 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 48.0 m80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.786 0.326 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -108.44 42.23 1.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.842 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 59.82 37.63 21.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.25 86.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 6' ' ' PHE . 13.9 p -64.53 -39.24 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.404 ' N ' HG13 ' A' ' 5' ' ' VAL . 21.6 m-85 -60.92 -54.45 44.88 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.901 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.645 ' O ' HG22 ' A' ' 11' ' ' THR . 9.5 t -67.32 -38.69 85.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.137 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.414 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 0.0 OUTLIER -57.34 -35.93 70.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.422 ' C ' ' OD1' ' A' ' 9' ' ' ASN . 16.1 t-20 -71.45 -41.85 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -67.95 -46.26 71.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.909 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.645 HG22 ' O ' ' A' ' 7' ' ' THR . 5.9 t -65.01 -41.15 95.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.161 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -68.23 -43.06 78.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.4 tp -66.34 -39.89 89.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.8 ttt-85 -60.51 -36.74 79.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.667 ' O ' HG23 ' A' ' 19' ' ' VAL . 21.3 tptt -59.11 -37.42 77.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.488 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 17.2 mm-40 -70.38 -47.41 61.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.406 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 41.2 mtm -64.99 -40.16 94.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -73.82 -25.99 60.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.134 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.2 t -67.6 -49.52 69.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.488 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.5 OUTLIER -67.12 -39.74 86.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 tptm -65.08 -41.37 95.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.459 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.8 m-85 -68.25 -53.69 22.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.7 HD12 ' N ' ' A' ' 24' ' ' ASN . 4.6 pp -62.36 -38.82 91.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.97 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.7 ' N ' HD12 ' A' ' 23' ' ' LEU . 3.9 t30 -65.59 -40.39 92.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.8 m -69.46 -49.18 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.0 mt -57.55 -43.16 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.092 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.53 -41.79 83.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 -49.96 -37.85 34.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.509 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.791 0.329 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.61 ' O ' HG12 ' A' ' 5' ' ' VAL . 54.5 p -124.49 -7.65 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.852 -179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -68.27 -6.85 26.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.61 -38.28 80.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.088 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.61 HG12 ' O ' ' A' ' 2' ' ' SER . 7.3 p -62.67 -38.75 82.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -60.36 -54.24 48.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -67.46 -38.61 84.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.186 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -56.38 -44.89 80.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.792 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 31.1 t-20 -60.16 -43.78 95.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -66.81 -42.24 86.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.918 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 89.0 m -63.26 -42.96 99.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.147 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -71.37 -43.17 67.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.2 tp -64.66 -41.76 95.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 16.1 ttp85 -59.28 -36.71 76.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.37 -43.96 83.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.894 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -60.7 -46.49 90.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.436 ' HA ' ' NZ ' ' A' ' 20' ' ' LYS . 8.3 mmt -69.48 -35.64 75.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.412 ' O ' ' CD1' ' A' ' 22' ' ' TYR . . . -74.11 -25.6 59.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.67 -49.94 82.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.076 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.687 ' HA ' HD23 ' A' ' 23' ' ' LEU . 3.3 ptpt -67.21 -37.97 84.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.408 ' O ' ' OD1' ' A' ' 24' ' ' ASN . 23.1 mmtp -65.83 -37.78 87.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 18' ' ' ALA . 3.1 m-85 -72.33 -39.95 67.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.96 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.687 HD23 ' HA ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -70.5 -37.88 74.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.925 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.557 ' C ' ' ND2' ' A' ' 24' ' ' ASN . 0.0 OUTLIER -61.1 -48.74 80.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.878 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.547 ' N ' ' ND2' ' A' ' 24' ' ' ASN . 15.0 t -67.08 -33.32 75.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 66.2 mt -71.38 -44.94 71.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.543 HD12 ' CD1' ' A' ' 23' ' ' LEU . 20.4 mt -74.89 -37.19 62.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.3 t30 -49.82 -34.96 21.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.46 179.975 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.0 t-80 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.781 0.324 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -120.09 133.14 55.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.19 42.55 0.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.93 -43.99 70.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.85 -38.92 80.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -63.99 -54.12 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 11.5 t -63.12 -38.46 91.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.169 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.29 -38.66 71.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.831 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -69.35 -40.15 77.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -68.29 -44.21 75.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.3 p -58.4 -48.57 80.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.178 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 26.9 mtp180 -68.02 -42.5 80.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.47 -39.65 88.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.487 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 2.9 tmm_? -58.91 -35.89 73.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.748 ' O ' HG23 ' A' ' 19' ' ' VAL . 17.1 tptm -62.81 -36.41 83.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 3.3 mm-40 -69.5 -46.82 65.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.487 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 12.6 ptp -69.38 -40.68 77.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.08 -27.94 62.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -62.23 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.5 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 12.7 mtmt -59.2 -42.88 91.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -58.08 -36.19 72.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.453 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.0 m-85 -68.24 -48.91 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.96 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -67.52 -35.1 78.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.8 t30 -63.68 -51.45 65.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.1 t -69.79 -45.07 68.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.453 HD12 ' O ' ' A' ' 22' ' ' TYR . 58.1 mt -59.59 -56.93 13.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.132 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.2 mt -62.08 -39.22 91.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -49.13 -36.29 18.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 179.959 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 23.6 m80 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.845 0.355 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -111.95 -47.55 3.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 6' ' ' PHE . 64.0 m-20 -59.38 89.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.21 -38.88 84.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.419 HG13 ' N ' ' A' ' 6' ' ' PHE . 9.1 p -66.94 -40.42 85.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.459 ' CD1' ' HB3' ' A' ' 3' ' ' ASP . 11.1 m-85 -60.24 -54.74 42.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.1 t -67.5 -38.28 84.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.154 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -55.7 -38.26 69.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -67.52 -43.32 81.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -65.95 -46.66 77.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 59.5 m -57.99 -49.81 75.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.151 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -66.78 -40.51 88.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.96 -38.84 90.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.488 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 13.1 ttt180 -58.97 -35.87 73.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.796 ' O ' HG23 ' A' ' 19' ' ' VAL . 22.2 tptt -62.84 -36.33 82.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.487 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 7.6 mm-40 -69.59 -46.82 65.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.488 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 6.0 ptp -69.33 -40.39 77.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.926 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.18 -26.47 61.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.074 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.95 -47.57 92.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.487 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.64 -37.13 77.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.902 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.4 mmtm -64.23 -36.12 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.632 ' O ' HD12 ' A' ' 26' ' ' ILE . 4.1 m-85 -69.42 -48.72 60.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 mt -70.51 -35.39 73.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.492 ' O ' ' CB ' ' A' ' 28' ' ' ASN . 0.9 OUTLIER -61.75 -51.63 67.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.906 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.7 t -69.84 -37.68 76.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.632 HD12 ' O ' ' A' ' 22' ' ' TYR . 40.7 mt -66.48 -61.68 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.68 -38.37 87.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.492 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 4.0 t30 -45.72 -38.05 6.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.458 179.99 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 41.9 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 3' ' ' ASP . 43.2 p -98.84 -56.79 2.34 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.834 -179.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 2' ' ' SER . 0.1 OUTLIER 36.43 41.82 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.905 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -67.66 -42.85 81.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.073 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.2 p -62.33 -39.66 85.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -61.19 -54.31 45.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.7 t -65.68 -38.45 89.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.116 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -55.88 -40.93 73.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 43.0 t-20 -64.38 -42.42 96.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.6 m-85 -66.33 -46.06 78.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -60.93 -47.98 83.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.192 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 81.3 mtt180 -60.78 -42.53 97.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 12.0 tp -66.74 -39.98 88.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.932 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.497 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 1.4 tmt_? -58.94 -36.13 74.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.896 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.788 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.6 tptt -62.95 -36.44 83.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.494 ' O ' ' CE ' ' A' ' 20' ' ' LYS . 23.2 mm100 -69.31 -46.73 66.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.497 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 11.9 ptp -68.99 -40.9 78.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.842 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.0 -26.49 61.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.077 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.92 -47.62 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' CE ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -59.06 -44.27 91.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.947 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.9 mmmp? -56.53 -36.18 68.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.893 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -68.15 -49.52 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.8 mt -64.65 -40.08 94.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.941 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.45 ' O ' ' CG ' ' A' ' 28' ' ' ASN . 1.0 OUTLIER -61.29 -48.16 82.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 57.7 m -69.85 -44.25 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.6 mt -62.11 -57.61 11.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -61.63 -38.84 89.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.45 ' CG ' ' O ' ' A' ' 24' ' ' ASN . 3.9 m-20 -50.33 -34.3 23.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.887 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.521 179.968 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.764 0.316 . . . . 0.0 110.825 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -98.17 105.98 18.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.437 ' O ' HG22 ' A' ' 7' ' ' THR . 11.7 t0 -137.27 152.02 49.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.25 -48.56 80.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 6' ' ' PHE . 14.6 p -67.76 -40.28 83.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.428 ' N ' HG13 ' A' ' 5' ' ' VAL . 10.6 m-85 -60.27 -54.66 43.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 3' ' ' ASP . 14.7 t -67.75 -38.21 83.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.113 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -55.78 -42.45 75.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.821 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -70.32 -36.86 74.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.863 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 7' ' ' THR . 17.1 m-30 -64.06 -34.03 77.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.964 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.3 m -66.19 -43.14 87.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.151 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 ptm180 -72.94 -44.45 61.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 7.6 tp -60.52 -40.22 90.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.7 ttp180 -59.13 -36.72 75.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.2 tppp? -57.58 -45.3 85.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.949 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -59.49 -46.54 88.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.947 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.443 ' HA ' ' CE ' ' A' ' 20' ' ' LYS . 7.2 mmt -69.58 -35.57 75.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.95 -25.7 60.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.1 t -61.7 -49.77 82.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -67.15 -37.5 83.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.899 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 mmmt -64.33 -40.85 96.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -71.96 -53.1 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 23' ' ' LEU . 2.3 pp -63.65 -35.33 80.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.945 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 20' ' ' LYS . 1.0 OUTLIER -65.78 -45.08 83.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.898 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 44.0 m -68.28 -45.92 71.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.83 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.5 mt -58.71 -51.83 67.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.143 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.9 mt -69.21 -41.76 76.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -40.5 -39.13 0.96 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.493 179.94 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 3.2 m170 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.551 ' O ' HG12 ' A' ' 5' ' ' VAL . 1.5 t -108.73 -57.24 2.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -59.01 -14.75 10.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -50.41 -40.48 50.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG12 ' O ' ' A' ' 2' ' ' SER . 11.7 p -63.4 -39.41 85.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.148 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.407 ' N ' HG13 ' A' ' 5' ' ' VAL . 11.5 m-85 -60.25 -54.65 43.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -67.68 -38.22 83.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.133 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -55.71 -47.62 76.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.435 ' OD1' ' NH1' ' A' ' 12' ' ' ARG . 69.6 m-20 -60.17 -36.28 77.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.0 m-85 -73.11 -43.35 61.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.983 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 45.2 m -64.84 -42.78 94.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.159 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' HD3' ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -72.88 -44.71 60.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.466 ' N ' ' HD3' ' A' ' 12' ' ' ARG . 6.2 tp -60.37 -42.08 95.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.485 ' HA ' ' CG ' ' A' ' 17' ' ' MET . 12.9 ttt85 -58.95 -35.85 73.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.839 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.8 tptt -62.75 -36.2 82.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' NZ ' ' A' ' 20' ' ' LYS . 6.1 mm-40 -69.76 -46.87 64.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.485 ' CG ' ' HA ' ' A' ' 14' ' ' ARG . 13.5 ptm -69.49 -39.85 77.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -73.11 -25.6 60.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.1 t -61.03 -38.44 79.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 16' ' ' GLN . 3.0 mppt? -65.7 -41.03 92.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.63 -38.91 92.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.918 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -69.53 -53.33 19.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.954 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.598 HD12 ' C ' ' A' ' 23' ' ' LEU . 0.6 OUTLIER -58.81 -34.17 71.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.947 179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -67.19 -45.17 77.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 49.4 m -69.74 -48.78 58.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.4 mt -52.33 -46.94 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.099 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.449 HD12 HD12 ' A' ' 23' ' ' LEU . 7.1 mt -65.99 -40.81 91.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 28.0 m-20 -49.06 -37.91 22.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.498 179.977 . . . . . . . . 0 0 . 1 stop_ save_