data_5ykl_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 5ykl _Structure_validation_residue.Date_analyzed 2017-10-20 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' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.828 0.346 . . . . 73.439999999999998 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.14 -40.09 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 74.530000000000001 110.914 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.22 -9.94 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.904 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.22 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 111.098 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -88.69 -39.01 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.909 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -66.73 -27.3 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 72.299999999999997 111.124 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.3 p -84.74 121.14 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.7 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.867 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -70.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.904 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.69 62.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 110.856 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.38 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.019999999999996 110.896 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 61.399999999999999 111.102 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 75.349999999999994 110.901 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -42.25 -38.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 9' ' ' ILE . 1.6 t80 -123.08 -7.77 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.833 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.18 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 111.07 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -34.91 17.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 110.885 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 6' ' ' PHE . 1.1 pp -71.02 -27.29 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.29 121.2 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 17.33 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.400000000000006 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.849 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.72 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -54.56 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.916 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 70.549999999999997 111.079 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 72.109999999999999 110.868 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.829 0.347 . . . . 75.409999999999997 110.866 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.42 -9.33 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 72.319999999999993 110.891 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.12 -28.2 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.111 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -33.18 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.409999999999997 110.865 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.53 -27.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 111.153 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.83 120.5 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.143 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.66 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.887 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 74.510000000000005 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.06 -28.8 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.944 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -53.31 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.409999999999997 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 111.092 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 71.319999999999993 110.879 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.65 -38.17 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 110.936 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.28 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.17 -28.2 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.096 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -33.09 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.59 -27.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 111.149 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.7 120.51 26.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 111.188 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 18.35 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.871 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 70.120000000000005 110.905 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -53.3 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 70.319999999999993 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.1 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.420000000000002 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 63.219999999999999 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.807 0.337 . . . . 74.209999999999994 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.45 -38.41 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.916 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.54 -9.1 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.862 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.01 62.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 111.147 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -33.26 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.36 -27.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.430000000000007 111.153 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.82 121.13 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 15.64 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.942 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -70.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -18.62 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.400000000000006 110.883 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.36 59.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 71.120000000000005 111.114 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.778 0.323 . . . . 74.109999999999999 110.837 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.64 -38.09 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 61.509999999999998 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.51 -9.16 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 72.049999999999997 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.17 -28.36 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 53.399999999999999 111.109 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -33.24 17.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.87 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.48 -27.04 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 73.519999999999996 111.118 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.9 121.09 27.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 111.116 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.03 15.72 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.140000000000001 110.864 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -18.64 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 75.510000000000005 110.844 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -53.43 58.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.861 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 -0.1 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.450000000000003 111.119 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.843 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 73.409999999999997 110.909 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.57 -38.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 73.099999999999994 110.923 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.36 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.25 63.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 111.1 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -33.17 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.868 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.56 -26.97 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 111.201 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.81 120.56 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.439999999999998 111.11 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 18.28 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.92 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -77.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.897 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -28.6 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 110.869 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -53.31 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.855 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -0.03 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 74.409999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.85 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.832 0.348 . . . . 71.450000000000003 110.924 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.51 -38.37 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 73.400000000000006 110.877 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.53 -9.09 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.03 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 72.129999999999995 111.108 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -33.24 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.36 -27.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 111.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.92 121.19 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 70.230000000000004 111.11 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 15.63 12.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 61.240000000000002 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.76 -18.68 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -53.32 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.849 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.02 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 73.530000000000001 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.865 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.835 0.35 . . . . 62.109999999999999 110.912 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.41 -35.45 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.9 -10.69 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.86 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 111.102 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -32.86 18.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.019999999999996 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.129999999999995 111.112 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -84.78 120.43 26.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.230000000000004 111.146 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.68 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 63.340000000000003 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -28.66 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.340000000000003 110.898 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.02 19.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.439999999999998 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.773 0.321 . . . . 74.349999999999994 110.843 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -44.42 -34.92 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 75.420000000000002 110.953 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -123.58 -9.52 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.863 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.54 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 111.082 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.7 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.439999999999998 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.33 -26.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -84.87 120.49 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 111.126 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 18.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.53 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.27 -28.53 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.853 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -53.31 59.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 110.859 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 0.02 19.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 75.230000000000004 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.099999999999994 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 75.430000000000007 110.943 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -37.69 3.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.07 -9.12 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.878 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.22 63.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.25 111.103 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -33.2 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.549999999999997 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.24 -27.01 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 111.124 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 p -85.06 121.04 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.450000000000003 111.146 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 15.62 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -104.02 -70.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 75.439999999999998 110.916 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -18.66 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 71.420000000000002 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -53.37 59.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.78 0.01 19.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 111.114 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 75.450000000000003 110.919 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.5 -36.28 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.62 -10.26 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.88 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.72 -28.79 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 111.106 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -32.96 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -26.74 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 111.09 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.59 120.7 26.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 64.219999999999999 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.28 20.47 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.099999999999994 110.928 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -77.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.905 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -25.36 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 110.893 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.871 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.07 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 74.519999999999996 111.134 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.912 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -37.59 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.200000000000003 110.93 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.08 -9.15 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.010000000000005 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.24 63.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.230000000000004 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -87.89 -33.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 72.310000000000002 110.867 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.23 -26.98 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.124 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.0 p -85.06 121.01 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.167 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 16.67 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 72.519999999999996 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.932 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -18.73 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.863 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -53.38 58.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.03 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.107 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 74.299999999999997 110.947 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.22 -35.88 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.913 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -123.33 -10.26 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.854 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -33.08 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.010000000000005 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -26.69 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 111.101 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.89 120.95 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.172 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.96 15.63 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 71.530000000000001 110.913 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -18.66 61.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.911 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.34 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.03 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.858 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.357 . . . . 73.519999999999996 110.93 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.06 -37.96 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.43 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.48 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 53.219999999999999 111.074 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -33.22 17.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.48 -27.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.66 12.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 65.310000000000002 110.951 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.5 -71.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.92 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -76.32 -18.8 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.019999999999996 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.37 59.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.200000000000003 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.77 -0.02 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.058 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 110.879 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.786 0.327 . . . . 73.239999999999995 110.852 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -35.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.949 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -122.97 -9.39 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.97 -27.98 62.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 71.140000000000001 111.109 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -88.93 -32.41 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 72.030000000000001 110.891 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.79 -27.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.143 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -85.19 120.53 26.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 75.299999999999997 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 19.85 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.895 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -77.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -28.16 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -53.33 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 110.867 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.06 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 111.076 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.030000000000001 110.835 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.763 0.316 . . . . 74.329999999999998 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -42.09 -35.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 75.230000000000004 110.912 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.95 -9.38 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.853 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 -28.82 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 111.119 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -32.31 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.349999999999994 110.897 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -27.14 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 111.103 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -85.1 120.45 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.74 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.919 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 -77.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.010000000000005 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -28.76 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.906 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.3 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.0 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.230000000000004 111.165 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.872 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.785 0.326 . . . . 74.129999999999995 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -41.7 -35.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.952 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -123.01 -9.34 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.826 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.95 -27.85 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 53.539999999999999 111.13 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -32.46 17.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.030000000000001 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.72 -27.32 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.12 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.1 p -85.39 120.98 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 16.56 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.921 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -70.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.867 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.67 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.100000000000001 110.829 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -53.4 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.869 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.0 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.540000000000006 110.88 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 73.310000000000002 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.5 -36.15 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.69 -10.3 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.149999999999999 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.74 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.075 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -33.03 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.409999999999997 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.88 -26.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.129999999999995 111.119 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.85 120.98 27.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 111.174 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 16.75 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.150000000000006 110.882 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 -70.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.882 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 -18.69 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.430000000000007 110.913 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -53.48 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.912 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.22 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 75.439999999999998 110.858 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -38.21 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.953 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.53 -9.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.450000000000003 110.879 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.13 63.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 111.116 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -33.25 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 75.129999999999995 110.879 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.34 -27.08 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 74.219999999999999 111.14 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.95 121.12 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 111.106 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.67 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.899 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -70.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.409999999999997 110.869 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -18.72 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -53.3 59.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 110.857 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.04 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 64.120000000000005 111.095 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 71.310000000000002 110.835 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.897 0.38 . . . . 74.409999999999997 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.0 160.69 10.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.635 0.731 . . . . 72.400000000000006 110.877 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.93 68.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 64.540000000000006 112.357 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.37 39.37 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 73.439999999999998 110.863 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.14 -40.09 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 74.530000000000001 110.914 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.22 -9.94 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.904 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.31 -28.22 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 111.098 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -88.69 -39.01 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 74.040000000000006 110.909 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.2 pp -66.73 -27.3 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 72.299999999999997 111.124 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.3 p -84.74 121.14 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.7 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.867 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -70.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.904 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.69 62.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 65.310000000000002 110.856 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.38 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 72.019999999999996 110.896 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 61.399999999999999 111.102 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -17.7 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.848 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.75 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 75.510000000000005 111.159 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -89.21 -73.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 75.510000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 73.120000000000005 110.845 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.1 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.896 0.379 . . . . 73.450000000000003 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mp -115.49 160.68 33.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 71.439999999999998 110.908 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.13 69.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 75.540000000000006 112.352 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.56 33.99 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.349999999999994 110.901 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -42.25 -38.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.402 ' CD2' HG12 ' A' ' 9' ' ' ILE . 1.6 t80 -123.08 -7.77 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.833 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.21 -29.18 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 70.239999999999995 111.07 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -34.91 17.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.519999999999996 110.885 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.402 HG12 ' CD2' ' A' ' 6' ' ' PHE . 1.1 pp -71.02 -27.29 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.29 121.2 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 17.33 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.400000000000006 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.849 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.72 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -54.56 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 75.420000000000002 110.916 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 70.549999999999997 111.079 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -19.61 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 72.109999999999999 110.868 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 6.0 pt -68.8 -40.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.519999999999996 111.178 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.19 -73.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 75.230000000000004 110.888 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 110.872 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.68 160.65 55.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.647 0.737 . . . . 73.420000000000002 110.921 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.06 53.07 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.150000000000006 112.337 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -118.63 36.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.409999999999997 110.866 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -122.42 -9.33 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 72.319999999999993 110.891 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.12 -28.2 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.111 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -33.18 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 73.409999999999997 110.865 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.53 -27.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 111.153 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.83 120.5 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.143 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.66 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 73.219999999999999 110.887 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 74.510000000000005 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.06 -28.8 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.944 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -53.31 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 74.409999999999997 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 111.092 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.35 -17.81 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.49 -39.76 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 111.123 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -109.05 -73.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 75.200000000000003 110.879 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 73.349999999999994 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 71.340000000000003 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 160.68 82.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 73.439999999999998 110.905 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.31 68.87 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 74.519999999999996 112.34 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.6 36.04 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 71.319999999999993 110.879 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.65 -38.17 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 110.936 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.28 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.912 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.17 -28.2 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.096 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -33.09 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 74.519999999999996 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.59 -27.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 111.149 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.7 120.51 26.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 72.510000000000005 111.188 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 18.35 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.430000000000007 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 75.299999999999997 110.871 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 70.120000000000005 110.905 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -53.3 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 70.319999999999993 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.1 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 75.420000000000002 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.76 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 63.219999999999999 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 74.140000000000001 111.113 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -68.22 -73.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 64.019999999999996 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 110.866 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.835 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -127.54 72.06 77.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 75.209999999999994 110.933 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.34 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 75.409999999999997 112.332 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -118.53 36.05 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.872 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.45 -38.41 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.916 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.54 -9.1 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.862 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.19 -28.01 62.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.409999999999997 111.147 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -33.26 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.36 -27.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.430000000000007 111.153 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.82 121.13 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 15.64 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.942 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -70.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -18.62 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 64.400000000000006 110.883 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.36 59.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 71.109999999999999 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 71.120000000000005 111.114 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.53 -17.78 14.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 110.853 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.42 -39.8 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 74.230000000000004 111.13 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -95.16 -73.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.140000000000001 110.861 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.839 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.859 0.361 . . . . 74.319999999999993 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt -137.91 71.53 49.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 75.239999999999995 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.75 7.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 72.299999999999997 112.341 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.3 35.7 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.837 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.64 -38.09 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 61.509999999999998 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.51 -9.16 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 72.049999999999997 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.17 -28.36 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 53.399999999999999 111.109 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -33.24 17.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.87 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.48 -27.04 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 73.519999999999996 111.118 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.9 121.09 27.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 111.116 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.03 15.72 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 71.140000000000001 110.864 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -18.64 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 75.510000000000005 110.844 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -53.43 58.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.861 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 -0.1 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 63.450000000000003 111.119 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.54 -17.73 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.843 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.45 -39.81 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 111.132 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -89.04 -73.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 110.862 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.896 0.379 . . . . 74.5 110.884 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.86 159.61 60.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 73.530000000000001 110.963 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 147.53 63.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 74.5 112.371 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -118.63 36.04 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 110.909 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.57 -38.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 73.099999999999994 110.923 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.42 -9.36 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.871 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.25 63.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 111.1 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -33.17 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.868 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.56 -26.97 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 111.201 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.81 120.56 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 74.439999999999998 111.11 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 18.28 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.230000000000004 110.92 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -77.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.897 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -28.6 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 73.340000000000003 110.869 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -53.31 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 71.439999999999998 110.855 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -0.03 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 74.409999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.85 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.41 -39.77 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 73.400000000000006 111.161 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -112.24 -73.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 74.349999999999994 110.846 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 64.109999999999999 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.909 0.385 . . . . 72.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.09 160.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.55 0.69 . . . . 73.219999999999999 110.966 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.8 41.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.241 . . . . 71.129999999999995 112.317 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -118.56 36.13 4.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.450000000000003 110.924 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.51 -38.37 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 73.400000000000006 110.877 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -122.53 -9.09 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 72.219999999999999 110.888 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.21 -28.03 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 72.129999999999995 111.108 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -33.24 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.36 -27.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 111.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.92 121.19 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 70.230000000000004 111.11 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 15.63 12.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 61.240000000000002 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.76 -18.68 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -53.32 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.849 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.02 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 73.530000000000001 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.865 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.540000000000006 111.112 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -100.33 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 70.439999999999998 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 62.43 110.874 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.936 0.398 . . . . 72.230000000000004 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt 54.83 71.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 72.209999999999994 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 172.05 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.73 2.287 . . . . 72.239999999999995 112.357 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.6 ptpt -118.62 34.73 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 62.109999999999999 110.912 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.41 -35.45 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.9 -10.69 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.861 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.58 -28.86 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 71.450000000000003 111.102 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -32.86 18.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 71.019999999999996 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 72.129999999999995 111.112 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -84.78 120.43 26.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 73.230000000000004 111.146 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.68 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 63.340000000000003 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -28.66 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 75.340000000000003 110.898 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.02 19.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.41 -17.81 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.439999999999998 110.853 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.43 -39.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 71.450000000000003 111.165 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -93.45 -73.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 73.150000000000006 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.886 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 73.099999999999994 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.97 160.69 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 73.420000000000002 110.882 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.51 22.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.648 2.232 . . . . 72.450000000000003 112.351 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.44 33.56 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 74.349999999999994 110.843 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -44.42 -34.92 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 75.420000000000002 110.953 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -123.58 -9.52 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.863 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.54 -30.54 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.329999999999998 111.082 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.7 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 75.439999999999998 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -71.33 -26.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 111.128 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -84.87 120.49 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 75.150000000000006 111.126 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 18.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.439999999999998 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.53 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.420000000000002 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.27 -28.53 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.853 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -53.31 59.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 110.859 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 0.02 19.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 75.230000000000004 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.83 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 71.099999999999994 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.41 -39.77 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.174 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -106.26 -73.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.851 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.875 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.914 0.388 . . . . 64.010000000000005 110.911 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.67 71.28 38.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.140000000000001 110.884 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 72.409999999999997 112.374 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.55 40.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 75.430000000000007 110.943 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -37.69 3.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -123.07 -9.12 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 75.310000000000002 110.878 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.25 -29.22 63.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.25 111.103 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -33.2 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.549999999999997 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.24 -27.01 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 111.124 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 p -85.06 121.04 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 71.450000000000003 111.146 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 15.62 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 74.5 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -104.02 -70.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 75.439999999999998 110.916 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -18.66 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 71.420000000000002 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -53.37 59.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.911 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.78 0.01 19.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 111.114 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.74 14.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.71 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 72.5 111.139 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -72.65 -73.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.010000000000005 110.881 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.88 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.94 0.4 . . . . 74.209999999999994 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp 52.5 72.99 1.02 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 72.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 143.57 51.02 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 71.230000000000004 112.331 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -118.6 35.54 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 75.450000000000003 110.919 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.5 -36.28 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.62 -10.26 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.88 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.72 -28.79 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 73.209999999999994 111.106 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -32.96 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.92 -26.74 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 111.09 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.59 120.7 26.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 64.219999999999999 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.28 20.47 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 75.099999999999994 110.928 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 -77.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.905 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -25.36 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 110.893 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.871 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.07 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 74.519999999999996 111.134 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -17.75 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.43 -39.77 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 111.155 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -73.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.099999999999994 110.857 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.924 0.392 . . . . 74.530000000000001 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.53 69.83 81.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 74.209999999999994 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.31 7.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 74.430000000000007 112.326 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.57 40.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.329999999999998 110.912 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -37.59 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 71.200000000000003 110.93 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -123.08 -9.15 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 73.010000000000005 110.882 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.23 -29.24 63.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.230000000000004 111.107 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -87.89 -33.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 72.310000000000002 110.867 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.23 -26.98 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.124 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.0 p -85.06 121.01 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.167 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 16.67 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 72.519999999999996 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.129999999999995 110.932 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -18.73 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.120000000000005 110.863 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -53.38 58.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.109999999999999 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.03 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.107 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.833 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.52 -39.7 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 111.145 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -108.63 -73.07 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 73.420000000000002 110.865 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 72.129999999999995 110.863 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.888 0.375 . . . . 73.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.98 70.51 67.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 73.409999999999997 110.937 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 161.21 46.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 73.010000000000005 112.319 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.45 40.66 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 74.299999999999997 110.947 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.22 -35.88 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.913 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -123.33 -10.26 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.854 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.73 -29.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.09 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -33.08 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 72.010000000000005 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.63 -26.69 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 111.101 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.89 120.95 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.172 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.96 15.63 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 71.530000000000001 110.913 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -18.66 61.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.911 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.34 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.03 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.53 -17.8 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.858 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.43 -39.82 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 74.409999999999997 111.126 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -83.64 -72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 74.439999999999998 110.918 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.897 0.38 . . . . 73.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.88 71.27 1.0 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.703 . . . . 75.219999999999999 110.946 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 160.19 50.63 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.644 2.229 . . . . 71.420000000000002 112.386 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.28 36.14 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 73.519999999999996 110.93 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.06 -37.96 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 72.109999999999999 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.43 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.889 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.13 -28.48 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 53.219999999999999 111.074 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -33.22 17.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.48 -27.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 111.115 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.66 12.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 65.310000000000002 110.951 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.5 -71.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.92 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -76.32 -18.8 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.019999999999996 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.37 59.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 72.200000000000003 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.77 -0.02 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.058 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 110.879 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.77 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.55 -73.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.856 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 74.140000000000001 110.868 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.863 0.364 . . . . 62.049999999999997 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt 54.35 69.48 2.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.72 . . . . 70.519999999999996 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 140.53 42.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 74.349999999999994 112.378 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.67 29.4 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 73.239999999999995 110.852 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -35.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.949 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -122.97 -9.39 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.892 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.97 -27.98 62.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 71.140000000000001 111.109 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -88.93 -32.41 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 72.030000000000001 110.891 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.79 -27.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.143 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -85.19 120.53 26.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 75.299999999999997 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 19.85 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.895 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -77.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 75.409999999999997 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -28.16 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -53.33 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 72.340000000000003 110.867 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.06 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 72.329999999999998 111.076 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -17.79 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.030000000000001 110.835 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.75 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.030000000000001 111.093 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -79.96 -73.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.831 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.340000000000003 110.866 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 74.120000000000005 110.91 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 160.69 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 75.109999999999999 110.936 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -174.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 62.140000000000001 112.332 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 29.2 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.329999999999998 110.876 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 22.8 mt -42.09 -35.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 75.230000000000004 110.912 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -122.95 -9.38 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.853 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.79 -28.82 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 111.119 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -32.31 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 74.349999999999994 110.897 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -74.24 -27.14 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 111.103 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -85.1 120.45 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.239999999999995 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.74 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.919 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 -77.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.010000000000005 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -28.76 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.906 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.3 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 74.400000000000006 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.0 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.230000000000004 111.165 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.39 -17.8 14.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.5 -39.8 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.310000000000002 111.1 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -102.44 -73.06 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.874 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.878 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.849 0.357 . . . . 73.430000000000007 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.91 159.63 9.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 74.040000000000006 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -171.63 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.659 2.239 . . . . 75.329999999999998 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.71 29.41 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.922 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -41.7 -35.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.439999999999998 110.952 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -123.01 -9.34 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 74.209999999999994 110.826 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.95 -27.85 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 53.539999999999999 111.13 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -32.46 17.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 72.030000000000001 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.72 -27.32 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.12 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.1 p -85.39 120.98 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 16.56 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.921 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -70.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.867 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.67 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.100000000000001 110.829 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -53.4 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.430000000000007 110.869 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.0 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.540000000000006 110.88 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.47 -39.78 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 111.148 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.62 -73.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 73.030000000000001 110.889 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 72.420000000000002 110.87 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.919 0.39 . . . . 74.450000000000003 110.848 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.14 69.63 69.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 73.200000000000003 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 75.530000000000001 112.357 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.4 ptpt -118.51 35.52 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.91 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.5 -36.15 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -122.69 -10.3 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 63.149999999999999 110.863 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.67 -28.74 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.075 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -33.03 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 71.409999999999997 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -73.88 -26.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 74.129999999999995 111.119 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.85 120.98 27.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 111.174 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 16.75 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 75.150000000000006 110.882 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 -70.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 75.340000000000003 110.882 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 -18.69 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 73.430000000000007 110.913 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -53.48 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 110.912 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.22 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -17.83 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 pt -53.0 -38.59 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.230000000000004 111.133 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -51.89 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 75.420000000000002 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 63.439999999999998 110.874 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 75.310000000000002 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -131.85 160.71 66.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 74.129999999999995 110.892 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.34 6.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 72.200000000000003 112.329 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.58 36.48 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 75.439999999999998 110.858 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -38.21 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.953 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -122.53 -9.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.450000000000003 110.879 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.15 -28.13 63.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 111.116 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -33.25 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 75.129999999999995 110.879 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 pp -73.34 -27.08 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 74.219999999999999 111.14 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.95 121.12 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 111.106 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.67 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.899 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -70.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.409999999999997 110.869 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -18.72 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -53.3 59.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 74.329999999999998 110.857 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.04 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 64.120000000000005 111.095 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -17.76 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 71.310000000000002 110.835 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.1 pt -52.48 -39.74 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.540000000000006 111.159 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -64.48 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 62.130000000000003 110.908 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.828 0.346 . . . . 62.210000000000001 110.863 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.14 -40.09 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 61.030000000000001 110.914 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.22 -9.94 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.31 -28.22 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 64.530000000000001 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -88.69 -39.01 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.049999999999997 110.909 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.73 -27.3 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 72.299999999999997 111.124 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.3 p -84.74 121.14 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.7 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.867 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -70.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 64.540000000000006 110.904 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.69 62.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 64.319999999999993 110.856 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.38 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 54.140000000000001 110.896 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 51.119999999999997 111.102 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 75.349999999999994 110.901 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -42.25 -38.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.591 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.6 t80 -123.08 -7.77 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.833 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -29.18 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 111.07 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -34.91 17.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.885 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.591 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.02 -27.29 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 64.519999999999996 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.29 121.2 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 17.33 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.310000000000002 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.849 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.72 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -54.56 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.916 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 33.229999999999997 111.079 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 72.019999999999996 110.868 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.829 0.347 . . . . 75.409999999999997 110.866 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.42 -9.33 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 64.140000000000001 110.891 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.2 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -33.18 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.865 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.53 -27.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 111.153 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.83 120.5 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 111.143 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.66 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.887 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.430000000000007 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.06 -28.8 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.109999999999999 110.944 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -53.31 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 111.092 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 71.109999999999999 110.879 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.65 -38.17 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.936 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.28 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.019999999999996 110.912 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.2 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.096 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -33.09 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 111.149 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.7 120.51 26.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 55.549999999999997 111.188 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 18.35 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 110.871 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 62.509999999999998 110.905 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -53.3 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 70.209999999999994 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.1 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 34.009999999999998 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 54.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.807 0.337 . . . . 65.439999999999998 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.45 -38.41 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.916 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.1 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.140000000000001 110.862 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.19 -28.01 62.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.219999999999999 111.147 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -33.26 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 61.329999999999998 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.153 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.82 121.13 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 15.64 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.942 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -70.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -18.62 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 63.509999999999998 110.883 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.36 59.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.25 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 71.120000000000005 111.114 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.778 0.323 . . . . 71.230000000000004 110.837 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.64 -38.09 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 61.43 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.16 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 63.219999999999999 110.897 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.36 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 53.399999999999999 111.109 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -33.24 17.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.87 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.9 121.09 27.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.116 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.03 15.72 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -18.64 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 75.510000000000005 110.844 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -53.43 58.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.861 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 -0.1 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 50.299999999999997 111.119 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.843 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 53.43 110.909 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.57 -38.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 73.099999999999994 110.923 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.36 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.871 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.25 63.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 111.1 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -33.17 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.868 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -26.97 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 111.201 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.81 120.56 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 33.299999999999997 111.11 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 18.28 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 64.25 110.92 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -77.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.897 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -28.6 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 110.869 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -53.31 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.855 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -0.03 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 74.409999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 70.349999999999994 110.85 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.5 ptpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.832 0.348 . . . . 71.319999999999993 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.51 -38.37 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 73.010000000000005 110.877 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.53 -9.09 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.888 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -28.03 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 50.43 111.108 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -33.24 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.92 121.19 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 70.230000000000004 111.11 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 15.63 12.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 44.310000000000002 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.76 -18.68 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -53.32 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.849 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.02 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 55.450000000000003 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.865 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.6 ptpt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.835 0.35 . . . . 62.109999999999999 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.41 -35.45 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.9 -10.69 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.58 -28.86 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 34.109999999999999 111.102 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -32.86 18.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 44.240000000000002 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.210000000000001 111.112 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -84.78 120.43 26.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 111.146 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.68 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 61.420000000000002 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -28.66 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.310000000000002 110.898 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.02 19.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.439999999999998 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.606 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.773 0.321 . . . . 71.340000000000003 110.843 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -44.42 -34.92 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 73.140000000000001 110.953 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.58 -9.52 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.863 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.54 -30.54 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.299999999999997 111.082 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.7 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 71.510000000000005 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -71.33 -26.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 111.128 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -84.87 120.49 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 51.520000000000003 111.126 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 18.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.140000000000001 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.53 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.549999999999997 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.27 -28.53 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.853 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -53.31 59.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 110.859 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 0.02 19.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 75.230000000000004 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 63.119999999999997 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 75.430000000000007 110.943 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -37.69 3.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.1 t80 -123.07 -9.12 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.878 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.22 63.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.25 111.103 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -33.2 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.120000000000005 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.24 -27.01 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 111.124 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 p -85.06 121.04 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.146 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 15.62 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.400000000000006 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -104.02 -70.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.916 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -18.66 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 50.43 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -53.37 59.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 63.039999999999999 110.911 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.78 0.01 19.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 111.114 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 54.520000000000003 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 72.209999999999994 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.5 -36.28 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.62 -10.26 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.72 -28.79 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.106 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -32.96 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.92 -26.74 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 72.140000000000001 111.09 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.59 120.7 26.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -121.28 20.47 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.420000000000002 110.928 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -115.78 -77.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.905 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -25.36 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 110.893 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.871 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.07 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 63.100000000000001 111.134 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 72.319999999999993 110.912 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -37.59 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.030000000000001 110.93 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.08 -9.15 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.882 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.23 -29.24 63.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 111.107 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -87.89 -33.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 64.040000000000006 110.867 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.23 -26.98 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.124 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.0 p -85.06 121.01 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.167 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 16.67 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 61.030000000000001 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 110.932 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -18.73 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.010000000000005 110.863 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -53.38 58.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.03 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.107 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.684 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 63.340000000000003 110.947 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.22 -35.88 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.913 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.33 -10.26 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.73 -29.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -33.08 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.129999999999995 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.63 -26.69 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 111.101 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.89 120.95 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.172 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.96 15.63 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 71.530000000000001 110.913 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -18.66 61.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.911 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.34 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.03 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.858 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.357 . . . . 64.019999999999996 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.06 -37.96 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 52.409999999999997 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.889 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.48 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 53.219999999999999 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -33.22 17.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.66 12.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 65.310000000000002 110.951 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.5 -71.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.92 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -76.32 -18.8 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.030000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.37 59.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.77 -0.02 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.058 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.409999999999997 110.879 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.786 0.327 . . . . 52.119999999999997 110.852 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -35.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.310000000000002 110.949 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.7 t80 -122.97 -9.39 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.97 -27.98 62.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 71.140000000000001 111.109 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -88.93 -32.41 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 63.340000000000003 110.891 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.79 -27.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.143 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -85.19 120.53 26.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 75.299999999999997 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 19.85 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.149999999999999 110.895 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -77.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -28.16 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.219999999999999 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -53.33 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.310000000000002 110.867 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.06 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.076 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.030000000000001 110.835 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.763 0.316 . . . . 74.019999999999996 110.876 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.488 HD23 ' NZ ' ' A' ' 4' ' ' LYS . 22.8 mt -42.09 -35.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 74.109999999999999 110.912 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.95 -9.38 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.219999999999999 110.853 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.79 -28.82 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 111.119 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -32.31 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.897 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -74.24 -27.14 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 111.103 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -85.1 120.45 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.74 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.919 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 -77.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 61.520000000000003 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -28.76 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.906 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.3 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.0 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.230000000000004 111.165 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.872 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.785 0.326 . . . . 74.129999999999995 110.922 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -41.7 -35.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.952 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.6 t80 -123.01 -9.34 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.826 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.95 -27.85 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 53.539999999999999 111.13 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -32.46 17.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.32 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.72 -27.32 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.12 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.1 p -85.39 120.98 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 16.56 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.921 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -70.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.867 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.67 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.100000000000001 110.829 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -53.4 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 110.869 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.0 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.540000000000006 110.88 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.4 ptpt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 73.310000000000002 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.5 -36.15 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.69 -10.3 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 55.219999999999999 110.863 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.67 -28.74 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.075 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -33.03 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 53.43 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.88 -26.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 111.119 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.85 120.98 27.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 111.174 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 16.75 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.882 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 -70.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 110.882 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 -18.69 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.329999999999998 110.913 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -53.48 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 61.049999999999997 110.912 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.22 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 75.439999999999998 110.858 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -38.21 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.953 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.450000000000003 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.13 63.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 111.116 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -33.25 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.879 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.34 -27.08 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 72.230000000000004 111.14 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.95 121.12 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 63.119999999999997 111.106 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.67 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 64.530000000000001 110.899 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -70.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.409999999999997 110.869 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -18.72 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -53.3 59.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 110.857 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.04 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 64.120000000000005 111.095 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 71.310000000000002 110.835 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.897 0.38 . . . . 74.409999999999997 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.0 160.69 10.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.635 0.731 . . . . 63.299999999999997 110.877 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.93 68.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 53.520000000000003 112.357 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.37 39.37 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 62.210000000000001 110.863 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.14 -40.09 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 61.030000000000001 110.914 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.22 -9.94 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.31 -28.22 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 64.530000000000001 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -88.69 -39.01 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.049999999999997 110.909 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.73 -27.3 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 72.299999999999997 111.124 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.3 p -84.74 121.14 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.7 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.867 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -70.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 64.540000000000006 110.904 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -62.55 -18.69 62.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 64.319999999999993 110.856 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.38 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 54.140000000000001 110.896 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 51.119999999999997 111.102 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -17.7 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.848 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.75 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 64.329999999999998 111.159 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -89.21 -73.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 34.520000000000003 110.845 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.1 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.896 0.379 . . . . 65.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mp -115.49 160.68 33.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 61.009999999999998 110.908 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.13 69.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 75.540000000000006 112.352 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.56 33.99 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.349999999999994 110.901 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -42.25 -38.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.591 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.6 t80 -123.08 -7.77 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.833 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -29.18 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 111.07 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -34.91 17.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.885 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.591 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.02 -27.29 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 64.519999999999996 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.29 121.2 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 17.33 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.310000000000002 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.849 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.72 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' MET . . . . . 0.633 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -74.86 -54.56 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.916 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 33.229999999999997 111.079 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -19.61 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 72.019999999999996 110.868 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 14' ' ' MET . 6.0 pt -68.8 -40.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.178 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.19 -73.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 62.119999999999997 110.888 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 110.872 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.68 160.65 55.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.647 0.737 . . . . 73.420000000000002 110.921 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.06 53.07 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.150000000000006 112.337 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -118.63 36.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.409999999999997 110.866 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.42 -9.33 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 64.140000000000001 110.891 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.2 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -33.18 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.865 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.53 -27.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 111.153 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.83 120.5 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 111.143 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.66 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.887 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.430000000000007 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.06 -28.8 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.109999999999999 110.944 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -53.31 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 111.092 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.35 -17.81 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.76 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.299999999999997 111.123 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -109.05 -73.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.879 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 73.349999999999994 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 71.340000000000003 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 160.68 82.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 72.040000000000006 110.905 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.31 68.87 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 63.329999999999998 112.34 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.6 36.04 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 71.109999999999999 110.879 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.65 -38.17 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.936 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.28 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.019999999999996 110.912 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.2 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.096 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -33.09 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 111.149 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.7 120.51 26.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 55.549999999999997 111.188 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 18.35 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 110.871 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -51.23 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 62.509999999999998 110.905 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -53.3 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 70.209999999999994 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.1 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 34.009999999999998 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.76 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 54.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 62.219999999999999 111.113 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -68.22 -73.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 61.039999999999999 110.866 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.579 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 74.030000000000001 110.835 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 1' ' ' PHE . 4.3 mm? -127.54 72.06 77.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 73.230000000000004 110.933 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.34 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 75.409999999999997 112.332 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.53 36.05 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.439999999999998 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.45 -38.41 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.916 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.1 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.140000000000001 110.862 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.19 -28.01 62.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.219999999999999 111.147 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -33.26 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 61.329999999999998 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.153 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.82 121.13 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 15.64 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.942 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -70.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -63.05 -18.62 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 63.509999999999998 110.883 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.36 59.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.25 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 71.120000000000005 111.114 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.53 -17.78 14.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 110.853 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.42 -39.8 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.420000000000002 111.13 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -95.16 -73.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 72.349999999999994 110.861 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.839 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.859 0.361 . . . . 70.310000000000002 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt -137.91 71.53 49.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 75.200000000000003 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.75 7.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 72.299999999999997 112.341 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.3 35.7 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.230000000000004 110.837 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.64 -38.09 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 61.43 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.16 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 63.219999999999999 110.897 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.36 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 53.399999999999999 111.109 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -33.24 17.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.87 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.9 121.09 27.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.116 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.03 15.72 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -63.02 -18.64 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 75.510000000000005 110.844 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -53.43 58.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.861 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 -0.1 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 50.299999999999997 111.119 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.54 -17.73 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.843 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.45 -39.81 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 111.132 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -89.04 -73.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 110.862 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' HB3' HD23 ' A' ' 2' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.896 0.379 . . . . 65.409999999999997 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -125.86 159.61 60.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 55.100000000000001 110.963 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 147.53 63.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 74.5 112.371 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -118.63 36.04 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.909 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.57 -38.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 73.099999999999994 110.923 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.36 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.871 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.25 63.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 111.1 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -33.17 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.868 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -26.97 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 111.201 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.81 120.56 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 33.299999999999997 111.11 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 18.28 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 64.25 110.92 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -77.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.897 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.547 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.26 -28.6 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 110.869 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -53.31 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.855 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -0.03 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 74.409999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 70.349999999999994 110.85 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.41 -39.77 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 111.161 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -112.24 -73.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.846 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 54.520000000000003 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.909 0.385 . . . . 72.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.09 160.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.55 0.69 . . . . 73.219999999999999 110.966 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.8 41.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.241 . . . . 64.349999999999994 112.317 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.5 ptpt -118.56 36.13 4.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.319999999999993 110.924 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.51 -38.37 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 73.010000000000005 110.877 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.53 -9.09 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.888 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -28.03 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 50.43 111.108 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -33.24 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.92 121.19 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 70.230000000000004 111.11 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 15.63 12.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 44.310000000000002 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.3 m-80 -63.76 -18.68 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -53.32 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.849 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.02 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 55.450000000000003 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.865 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.540000000000006 111.112 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -100.33 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 70.439999999999998 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 54.32 110.874 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.936 0.398 . . . . 63.039999999999999 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt 54.83 71.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 72.209999999999994 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 172.05 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.73 2.287 . . . . 72.239999999999995 112.357 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.6 ptpt -118.62 34.73 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 62.109999999999999 110.912 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.41 -35.45 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.9 -10.69 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.58 -28.86 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 34.109999999999999 111.102 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -32.86 18.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 44.240000000000002 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.210000000000001 111.112 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -84.78 120.43 26.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 111.146 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.68 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 61.420000000000002 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -51.15 -28.66 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.310000000000002 110.898 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.02 19.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.41 -17.81 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.439999999999998 110.853 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.43 -39.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 45.119999999999997 111.165 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -93.45 -73.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 73.129999999999995 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.886 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 63.229999999999997 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.97 160.69 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 54.340000000000003 110.882 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.51 22.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.648 2.232 . . . . 60.539999999999999 112.351 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.44 33.56 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 110.843 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -44.42 -34.92 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 73.140000000000001 110.953 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.58 -9.52 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.863 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.54 -30.54 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.299999999999997 111.082 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.7 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 71.510000000000005 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -71.33 -26.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 111.128 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -84.87 120.49 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 51.520000000000003 111.126 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 18.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.140000000000001 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.53 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.549999999999997 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -51.27 -28.53 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.853 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -53.31 59.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 110.859 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 0.02 19.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 75.230000000000004 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.83 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 63.119999999999997 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.41 -39.77 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 111.174 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -106.26 -73.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.851 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.875 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.503 ' C ' HD22 ' A' ' 2' ' ' LEU . 72.1 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.914 0.388 . . . . 64.010000000000005 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -122.67 71.28 38.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.140000000000001 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 70.239999999999995 112.374 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.55 40.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 75.430000000000007 110.943 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -37.69 3.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.1 t80 -123.07 -9.12 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.878 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.22 63.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.25 111.103 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -33.2 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.120000000000005 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.24 -27.01 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 111.124 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 p -85.06 121.04 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.146 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 15.62 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.400000000000006 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -104.02 -70.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.916 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.96 -18.66 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 50.43 110.866 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -53.37 59.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 63.039999999999999 110.911 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.78 0.01 19.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 111.114 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.74 14.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 54.520000000000003 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.71 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 64.329999999999998 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -72.65 -73.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 44.329999999999998 110.881 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.88 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.94 0.4 . . . . 73.109999999999999 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp 52.5 72.99 1.02 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 72.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 143.57 51.02 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 71.230000000000004 112.331 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.6 35.54 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.919 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.5 -36.28 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.62 -10.26 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.72 -28.79 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.106 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -32.96 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.92 -26.74 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 72.140000000000001 111.09 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.59 120.7 26.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -121.28 20.47 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.420000000000002 110.928 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -115.78 -77.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.905 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -54.2 -25.36 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 110.893 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.871 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.07 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 63.100000000000001 111.134 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -17.75 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.43 -39.77 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.200000000000003 111.155 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -73.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 63.140000000000001 110.857 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.924 0.392 . . . . 74.530000000000001 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.53 69.83 81.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 74.209999999999994 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.31 7.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 70.0 112.326 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.57 40.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.912 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -37.59 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.030000000000001 110.93 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.08 -9.15 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.882 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.23 -29.24 63.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 111.107 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -87.89 -33.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 64.040000000000006 110.867 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.23 -26.98 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.124 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.0 p -85.06 121.01 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.167 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 16.67 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 61.030000000000001 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 110.932 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -61.58 -18.73 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.010000000000005 110.863 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -53.38 58.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.03 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.107 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.833 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.7 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 62.539999999999999 111.145 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -108.63 -73.07 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.109999999999999 110.865 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 110.863 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.888 0.375 . . . . 73.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.98 70.51 67.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 71.340000000000003 110.937 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 161.21 46.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 51.420000000000002 112.319 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.684 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.45 40.66 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 63.340000000000003 110.947 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.22 -35.88 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.913 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.33 -10.26 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.73 -29.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -33.08 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.129999999999995 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.63 -26.69 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 111.101 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.89 120.95 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.172 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.96 15.63 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 71.530000000000001 110.913 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -62.24 -18.66 61.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.911 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.34 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.03 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.53 -17.8 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.858 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.43 -39.82 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.409999999999997 111.126 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -83.64 -72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.430000000000007 110.918 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.897 0.38 . . . . 73.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.88 71.27 1.0 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.703 . . . . 51.140000000000001 110.946 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.661 ' HB2' HD23 ' A' ' 5' ' ' LEU . 53.8 Cg_endo -69.75 160.19 50.63 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.644 2.229 . . . . 71.420000000000002 112.386 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.28 36.14 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 64.019999999999996 110.93 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.661 HD23 ' HB2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -44.06 -37.96 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 52.409999999999997 110.89 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.889 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.48 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 53.219999999999999 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -33.22 17.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.66 12.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 65.310000000000002 110.951 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.5 -71.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.92 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m-20 -76.32 -18.8 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.030000000000001 110.86 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.37 59.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.77 -0.02 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.058 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.409999999999997 110.879 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.77 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.55 -73.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.349999999999994 110.856 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 72.019999999999996 110.868 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.863 0.364 . . . . 53.530000000000001 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt 54.35 69.48 2.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.72 . . . . 64.510000000000005 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 140.53 42.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 74.349999999999994 112.378 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -119.67 29.4 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 52.119999999999997 110.852 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -35.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.310000000000002 110.949 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.7 t80 -122.97 -9.39 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.97 -27.98 62.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 71.140000000000001 111.109 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -88.93 -32.41 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 63.340000000000003 110.891 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.79 -27.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.143 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -85.19 120.53 26.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 75.299999999999997 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 19.85 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.149999999999999 110.895 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -77.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.65 -28.16 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.219999999999999 110.865 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -53.33 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.310000000000002 110.867 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.06 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.076 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -17.79 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.030000000000001 110.835 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.75 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.030000000000001 111.093 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -79.96 -73.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.831 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 54.530000000000001 110.866 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 74.120000000000005 110.91 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 160.69 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 64.120000000000005 110.936 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -174.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 61.530000000000001 112.332 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -119.81 29.2 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.876 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.488 HD23 ' NZ ' ' A' ' 4' ' ' LYS . 22.8 mt -42.09 -35.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 74.109999999999999 110.912 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.95 -9.38 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.219999999999999 110.853 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.79 -28.82 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 111.119 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -32.31 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.897 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -74.24 -27.14 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 111.103 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -85.1 120.45 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.74 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.919 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 -77.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 61.520000000000003 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -51.19 -28.76 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.906 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.3 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.0 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.230000000000004 111.165 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.39 -17.8 14.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.8 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 111.1 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -102.44 -73.06 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.874 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 63.109999999999999 110.878 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.849 0.357 . . . . 73.430000000000007 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.91 159.63 9.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 44.219999999999999 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -171.63 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.659 2.239 . . . . 63.039999999999999 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -119.71 29.41 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.922 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -41.7 -35.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.952 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.6 t80 -123.01 -9.34 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.826 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.95 -27.85 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 53.539999999999999 111.13 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -32.46 17.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.32 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.72 -27.32 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.12 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.1 p -85.39 120.98 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 16.56 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.921 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -70.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.867 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.57 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -61.96 -18.67 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.100000000000001 110.829 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -53.4 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 110.869 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.0 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.540000000000006 110.88 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.47 -39.78 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.149999999999999 111.148 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.62 -73.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 73.030000000000001 110.889 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 34.039999999999999 110.87 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.919 0.39 . . . . 74.120000000000005 110.848 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.14 69.63 69.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 63.539999999999999 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 64.319999999999993 112.357 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.4 ptpt -118.51 35.52 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.91 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.5 -36.15 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.69 -10.3 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 55.219999999999999 110.863 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.67 -28.74 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.075 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -33.03 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 53.43 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.88 -26.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 111.119 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.85 120.98 27.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 111.174 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 16.75 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.882 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 -70.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 110.882 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -61.7 -18.69 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.329999999999998 110.913 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -53.48 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 61.049999999999997 110.912 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.22 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -17.83 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.0 pt -53.0 -38.59 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.133 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -51.89 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 63.109999999999999 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 61.530000000000001 110.874 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 75.310000000000002 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -131.85 160.71 66.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 71.209999999999994 110.892 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.34 6.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 64.230000000000004 112.329 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.58 36.48 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 75.439999999999998 110.858 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -38.21 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.953 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.450000000000003 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.13 63.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 111.116 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -33.25 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.879 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.34 -27.08 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 72.230000000000004 111.14 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.95 121.12 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 63.119999999999997 111.106 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.67 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 64.530000000000001 110.899 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -70.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.409999999999997 110.869 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -62.51 -18.72 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.0 110.866 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -53.3 59.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 110.857 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.04 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 64.120000000000005 111.095 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -17.76 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 71.310000000000002 110.835 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.74 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.159 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -64.48 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 52.539999999999999 110.908 -179.922 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.828 0.346 . . . . 62.210000000000001 110.863 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.14 -40.09 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 61.030000000000001 110.914 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.22 -9.94 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.31 -28.22 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 64.530000000000001 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -88.69 -39.01 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.049999999999997 110.909 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.73 -27.3 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 72.299999999999997 111.124 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.3 p -84.74 121.14 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.7 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.867 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -70.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 64.540000000000006 110.904 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.55 -18.69 62.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 64.319999999999993 110.856 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.38 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 54.140000000000001 110.896 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 51.119999999999997 111.102 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.848 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.828 0.347 . . . . 75.349999999999994 110.901 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -42.25 -38.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.591 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.6 t80 -123.08 -7.77 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.833 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -29.18 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 111.07 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -34.91 17.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.885 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.591 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.02 -27.29 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 64.519999999999996 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.29 121.2 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 17.33 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.310000000000002 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.849 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.72 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.86 -54.56 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.916 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 33.229999999999997 111.079 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 72.019999999999996 110.868 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.829 0.347 . . . . 75.409999999999997 110.866 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.42 -9.33 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 64.140000000000001 110.891 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.2 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -33.18 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.865 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.53 -27.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 111.153 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.83 120.5 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 111.143 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.66 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.887 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.430000000000007 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.06 -28.8 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.109999999999999 110.944 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -53.31 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 111.092 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.822 0.344 . . . . 71.109999999999999 110.879 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.65 -38.17 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.936 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.28 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.019999999999996 110.912 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.2 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.096 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -33.09 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 111.149 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.7 120.51 26.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 55.549999999999997 111.188 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 18.35 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 110.871 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 62.509999999999998 110.905 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -53.3 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 70.209999999999994 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.1 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 34.009999999999998 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 54.0 110.855 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.807 0.337 . . . . 65.439999999999998 110.872 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.45 -38.41 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.916 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.1 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.140000000000001 110.862 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.19 -28.01 62.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.219999999999999 111.147 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -33.26 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 61.329999999999998 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.153 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.82 121.13 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 15.64 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.942 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -70.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -63.05 -18.62 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 63.509999999999998 110.883 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.36 59.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.25 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 71.120000000000005 111.114 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 110.853 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.778 0.323 . . . . 71.230000000000004 110.837 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.64 -38.09 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 61.43 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.16 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 63.219999999999999 110.897 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.36 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 53.399999999999999 111.109 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -33.24 17.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.87 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.9 121.09 27.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.116 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.03 15.72 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -63.02 -18.64 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 75.510000000000005 110.844 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -53.43 58.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.861 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 -0.1 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 50.299999999999997 111.119 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.843 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.82 0.343 . . . . 53.43 110.909 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.57 -38.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 73.099999999999994 110.923 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.36 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.871 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.25 63.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 111.1 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -33.17 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.868 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -26.97 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 111.201 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.81 120.56 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 33.299999999999997 111.11 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 18.28 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 64.25 110.92 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -77.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.897 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.26 -28.6 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 110.869 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -53.31 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.855 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -0.03 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 74.409999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 70.349999999999994 110.85 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.5 ptpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.832 0.348 . . . . 71.319999999999993 110.924 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.51 -38.37 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 73.010000000000005 110.877 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.53 -9.09 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.888 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -28.03 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 50.43 111.108 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -33.24 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.92 121.19 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 70.230000000000004 111.11 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 15.63 12.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 44.310000000000002 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -63.76 -18.68 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.889 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -53.32 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.849 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.02 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 55.450000000000003 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.865 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.605 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.6 ptpt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.835 0.35 . . . . 62.109999999999999 110.912 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.41 -35.45 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.9 -10.69 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.58 -28.86 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 34.109999999999999 111.102 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -32.86 18.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 44.240000000000002 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.210000000000001 111.112 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -84.78 120.43 26.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 111.146 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.68 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 61.420000000000002 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -51.15 -28.66 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.310000000000002 110.898 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.02 19.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.439999999999998 110.853 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.606 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.773 0.321 . . . . 71.340000000000003 110.843 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -44.42 -34.92 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 73.140000000000001 110.953 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.58 -9.52 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.863 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.54 -30.54 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.299999999999997 111.082 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.7 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 71.510000000000005 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -71.33 -26.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 111.128 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -84.87 120.49 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 51.520000000000003 111.126 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 18.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.140000000000001 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.53 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.549999999999997 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -51.27 -28.53 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.853 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -53.31 59.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 110.859 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 0.02 19.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 75.230000000000004 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 63.119999999999997 110.871 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.786 0.327 . . . . 75.430000000000007 110.943 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -37.69 3.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.1 t80 -123.07 -9.12 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.878 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.22 63.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.25 111.103 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -33.2 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.120000000000005 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.24 -27.01 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 111.124 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 p -85.06 121.04 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.146 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 15.62 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.400000000000006 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -104.02 -70.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.916 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.96 -18.66 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 50.43 110.866 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -53.37 59.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 63.039999999999999 110.911 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.78 0.01 19.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 111.114 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 54.520000000000003 110.886 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.85 0.357 . . . . 72.209999999999994 110.919 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.5 -36.28 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.62 -10.26 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.72 -28.79 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.106 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -32.96 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.92 -26.74 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 72.140000000000001 111.09 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.59 120.7 26.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -121.28 20.47 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.420000000000002 110.928 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -115.78 -77.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.905 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.2 -25.36 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 110.893 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.871 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.07 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 63.100000000000001 111.134 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.848 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.808 0.337 . . . . 72.319999999999993 110.912 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -37.59 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.030000000000001 110.93 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.08 -9.15 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.882 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.23 -29.24 63.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 111.107 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -87.89 -33.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 64.040000000000006 110.867 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.23 -26.98 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.124 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.0 p -85.06 121.01 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.167 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 16.67 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 61.030000000000001 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 110.932 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -18.73 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.010000000000005 110.863 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -53.38 58.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.03 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.107 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.833 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.684 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 63.340000000000003 110.947 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.22 -35.88 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.913 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.33 -10.26 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.73 -29.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -33.08 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.129999999999995 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.63 -26.69 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 111.101 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.89 120.95 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.172 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.96 15.63 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 71.530000000000001 110.913 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.24 -18.66 61.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.911 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.34 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.03 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.858 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.357 . . . . 64.019999999999996 110.93 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.06 -37.96 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 52.409999999999997 110.89 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.889 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.48 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 53.219999999999999 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -33.22 17.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.66 12.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 65.310000000000002 110.951 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.5 -71.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.92 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -76.32 -18.8 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.030000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.37 59.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.77 -0.02 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.058 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.409999999999997 110.879 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.786 0.327 . . . . 52.119999999999997 110.852 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -35.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.310000000000002 110.949 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.7 t80 -122.97 -9.39 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.97 -27.98 62.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 71.140000000000001 111.109 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -88.93 -32.41 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 63.340000000000003 110.891 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.79 -27.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.143 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -85.19 120.53 26.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 75.299999999999997 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 19.85 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.149999999999999 110.895 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -77.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.65 -28.16 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.219999999999999 110.865 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -53.33 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.310000000000002 110.867 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.06 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.076 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.030000000000001 110.835 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.763 0.316 . . . . 74.019999999999996 110.876 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.488 HD23 ' NZ ' ' A' ' 4' ' ' LYS . 22.8 mt -42.09 -35.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 74.109999999999999 110.912 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.95 -9.38 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.219999999999999 110.853 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.79 -28.82 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 111.119 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -32.31 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.897 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -74.24 -27.14 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 111.103 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -85.1 120.45 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.74 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.919 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 -77.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 61.520000000000003 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.19 -28.76 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.906 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.3 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.0 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.230000000000004 111.165 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.872 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.587 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.785 0.326 . . . . 74.129999999999995 110.922 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -41.7 -35.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.952 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.6 t80 -123.01 -9.34 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.826 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.95 -27.85 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 53.539999999999999 111.13 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -32.46 17.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.32 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.72 -27.32 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.12 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.1 p -85.39 120.98 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 16.56 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.921 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -70.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.867 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -18.67 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.100000000000001 110.829 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -53.4 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 110.869 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.0 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.540000000000006 110.88 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.4 ptpt . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.804 0.335 . . . . 73.310000000000002 110.91 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.5 -36.15 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.69 -10.3 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 55.219999999999999 110.863 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.67 -28.74 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.075 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -33.03 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 53.43 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.88 -26.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 111.119 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.85 120.98 27.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 111.174 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 16.75 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.882 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 -70.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 110.882 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -61.7 -18.69 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.329999999999998 110.913 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -53.48 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 61.049999999999997 110.912 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.22 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.888 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.832 0.349 . . . . 75.439999999999998 110.858 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -38.21 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.953 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.450000000000003 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.13 63.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 111.116 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -33.25 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.879 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.34 -27.08 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 72.230000000000004 111.14 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.95 121.12 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 63.119999999999997 111.106 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.67 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 64.530000000000001 110.899 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -70.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.409999999999997 110.869 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.51 -18.72 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.0 110.866 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -53.3 59.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 110.857 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.04 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 64.120000000000005 111.095 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 71.310000000000002 110.835 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.897 0.38 . . . . 74.409999999999997 110.841 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 mp -59.0 160.69 10.57 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.635 0.731 . . . . 63.299999999999997 110.877 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 150.93 68.77 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.255 . . . . 53.520000000000003 112.357 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.554 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.37 39.37 3.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 62.210000000000001 110.863 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -44.14 -40.09 4.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.443 . . . . 61.030000000000001 110.914 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.22 -9.94 8.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 74.200000000000003 110.904 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.554 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -70.31 -28.22 65.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 64.530000000000001 111.098 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -88.69 -39.01 14.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 72.049999999999997 110.909 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.576 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.2 pp -66.73 -27.3 39.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 72.299999999999997 111.124 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.3 p -84.74 121.14 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 64.510000000000005 111.125 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.7 12.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 75.319999999999993 110.867 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.82 -70.81 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 64.540000000000006 110.904 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -62.55 -18.69 62.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 64.319999999999993 110.856 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.22 -53.38 58.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 54.140000000000001 110.896 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.02 19.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 51.119999999999997 111.102 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.58 -17.7 14.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.848 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.75 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.438 . . . . 64.329999999999998 111.159 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.2 ttp85 -89.21 -73.06 0.52 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.120000000000005 110.884 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 34.520000000000003 110.845 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 25.1 p90 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.896 0.379 . . . . 65.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 mp -115.49 160.68 33.59 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.613 0.72 . . . . 61.009999999999998 110.908 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 151.13 69.14 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.665 2.244 . . . . 75.540000000000006 112.352 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.584 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.56 33.99 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 75.349999999999994 110.901 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 mt -42.25 -38.52 1.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.952 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.591 ' CE1' HD11 ' A' ' 9' ' ' ILE . 1.6 t80 -123.08 -7.77 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.833 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.584 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -29.18 63.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 64.430000000000007 111.07 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -34.91 17.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 73.219999999999999 110.885 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.591 HD11 ' CE1' ' A' ' 6' ' ' PHE . 1.1 pp -71.02 -27.29 29.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 64.519999999999996 111.125 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.29 121.2 27.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 74.329999999999998 111.121 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.52 17.33 11.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 62.310000000000002 110.906 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.46 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 70.040000000000006 110.849 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.53 -18.72 60.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 74.420000000000002 110.897 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . 0.633 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.0 OUTLIER -74.86 -54.56 7.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 70.430000000000007 110.916 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -49.28 -24.78 1.97 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 33.229999999999997 111.079 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -19.61 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 72.019999999999996 110.868 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.633 HG23 ' O ' ' A' ' 14' ' ' MET . 6.0 pt -68.8 -40.1 80.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 61.43 111.178 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -86.19 -73.06 0.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 62.119999999999997 110.888 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 71.230000000000004 110.872 -179.942 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.853 0.359 . . . . 74.310000000000002 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.68 160.65 55.62 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.647 0.737 . . . . 73.420000000000002 110.921 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 144.06 53.07 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.735 2.29 . . . . 74.150000000000006 112.337 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.577 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.2 OUTLIER -118.63 36.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 75.409999999999997 110.866 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.68 -38.13 2.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 73.340000000000003 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.0 t80 -122.42 -9.33 8.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.472 . . . . 64.140000000000001 110.891 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.577 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.12 -28.2 63.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.77 -33.18 17.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 72.439999999999998 110.865 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.53 -27.06 22.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.519999999999996 111.153 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.4 p -84.83 120.5 26.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 72.019999999999996 111.143 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.85 17.66 11.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 72.329999999999998 110.887 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.426 . . . . 72.430000000000007 110.882 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.544 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.06 -28.8 11.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 70.109999999999999 110.944 179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -53.31 59.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.874 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.57 -0.06 19.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 73.329999999999998 111.092 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.35 -17.81 14.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 75.420000000000002 110.868 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.544 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.49 -39.76 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 62.299999999999997 111.123 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.6 ttt180 -109.05 -73.13 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.879 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 73.349999999999994 110.896 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.847 0.356 . . . . 71.340000000000003 110.844 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.73 160.68 82.25 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 72.040000000000006 110.905 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 151.31 68.87 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.724 2.283 . . . . 63.329999999999998 112.34 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.6 36.04 4.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 71.109999999999999 110.879 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -43.65 -38.17 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 110.936 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.534 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.28 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 71.019999999999996 110.912 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.2 63.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 111.096 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.85 -33.09 17.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.299999999999997 110.904 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.534 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.59 -27.04 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.439 . . . . 74.310000000000002 111.149 179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.5 p -84.7 120.51 26.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 55.549999999999997 111.188 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.8 18.35 11.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 73.25 110.923 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.62 -77.68 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 110.871 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.548 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -51.23 -28.62 11.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 62.509999999999998 110.905 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.91 -53.3 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 70.209999999999994 110.872 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.59 -0.1 19.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 34.009999999999998 111.132 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.37 -17.76 14.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 54.0 110.855 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.548 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.53 -39.76 30.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 62.219999999999999 111.113 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.2 ttt180 -68.22 -73.11 0.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.857 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 61.039999999999999 110.866 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.579 ' O ' HD22 ' A' ' 2' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.904 0.383 . . . . 74.030000000000001 110.835 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.579 HD22 ' O ' ' A' ' 1' ' ' PHE . 4.3 mm? -127.54 72.06 77.61 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.582 0.706 . . . . 73.230000000000004 110.933 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -175.34 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.666 2.244 . . . . 75.409999999999997 112.332 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.572 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.53 36.05 4.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 65.439999999999998 110.872 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.45 -38.41 2.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.420000000000002 110.916 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.532 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.54 -9.1 8.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 64.140000000000001 110.862 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.572 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.19 -28.01 62.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.219999999999999 111.147 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.13 -33.26 17.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 61.329999999999998 110.895 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.532 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.19 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.019999999999996 111.153 179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.82 121.13 27.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 64.430000000000007 111.159 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.99 15.64 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.942 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.8 -70.83 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 73.129999999999995 110.905 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.564 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -63.05 -18.62 63.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 63.509999999999998 110.883 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -53.36 59.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 63.25 110.85 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.71 -0.01 19.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 71.120000000000005 111.114 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.53 -17.78 14.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 72.040000000000006 110.853 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.42 -39.8 30.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.436 . . . . 71.420000000000002 111.13 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.2 ttt-85 -95.16 -73.04 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 72.349999999999994 110.861 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 70.030000000000001 110.839 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.859 0.361 . . . . 70.310000000000002 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.2 mt -137.91 71.53 49.07 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.604 0.716 . . . . 75.200000000000003 110.932 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.75 7.72 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 72.299999999999997 112.341 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.3 35.7 4.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 71.230000000000004 110.837 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 mt -43.64 -38.09 2.89 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 61.43 110.889 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.533 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.51 -9.16 8.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 63.219999999999999 110.897 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.574 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.17 -28.36 63.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 53.399999999999999 111.109 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.69 -33.24 17.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.400000000000006 110.87 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.533 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 73.200000000000003 111.118 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.8 p -84.9 121.09 27.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 71.329999999999998 111.116 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.03 15.72 12.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 63.399999999999999 110.864 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.96 -70.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 74.219999999999999 110.863 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.5 OUTLIER -63.02 -18.64 63.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 75.510000000000005 110.844 179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -53.43 58.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.861 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 -0.1 19.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 50.299999999999997 111.119 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.54 -17.73 14.61 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.207 -0.451 . . . . 62.32 110.843 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.45 -39.81 30.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 73.209999999999994 111.132 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.2 ttp85 -89.04 -73.04 0.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 74.209999999999994 110.862 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 110.889 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.535 ' HB3' HD23 ' A' ' 2' ' ' LEU . 1.7 t80 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.896 0.379 . . . . 65.409999999999997 110.884 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.535 HD23 ' HB3' ' A' ' 1' ' ' PHE . 0.1 OUTLIER -125.86 159.61 60.61 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.586 0.708 . . . . 55.100000000000001 110.963 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 147.53 63.44 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.678 2.252 . . . . 74.5 112.371 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.58 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -118.63 36.04 4.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 53.43 110.909 179.906 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.57 -38.18 2.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 73.099999999999994 110.923 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.42 -9.36 8.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 71.129999999999995 110.871 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.1 -28.25 63.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 75.530000000000001 111.1 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.82 -33.17 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 75.319999999999993 110.868 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.56 -26.97 22.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 74.319999999999993 111.201 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.3 p -84.81 120.56 26.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 33.299999999999997 111.11 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.79 18.28 11.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 64.25 110.92 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.33 -77.68 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 74.109999999999999 110.897 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.547 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.26 -28.6 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 72.329999999999998 110.869 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.9 -53.31 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 63.219999999999999 110.855 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 -0.03 19.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.286 -0.416 . . . . 74.409999999999997 111.088 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.77 14.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 70.349999999999994 110.85 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.547 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.41 -39.77 29.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 111.161 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 24.1 ttm-85 -112.24 -73.04 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 74.329999999999998 110.846 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 54.520000000000003 110.872 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.909 0.385 . . . . 72.400000000000006 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.09 160.65 28.9 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.55 0.69 . . . . 73.219999999999999 110.966 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 139.8 41.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.662 2.241 . . . . 64.349999999999994 112.317 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.567 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.5 ptpt -118.56 36.13 4.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.319999999999993 110.924 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.51 -38.37 2.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.458 . . . . 73.010000000000005 110.877 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.539 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.8 t80 -122.53 -9.09 8.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.888 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.567 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.21 -28.03 62.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 50.43 111.108 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -89.12 -33.24 17.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.898 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.539 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.36 -27.16 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 71.010000000000005 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.1 p -84.92 121.19 27.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 70.230000000000004 111.11 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.05 15.63 12.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 44.310000000000002 110.9 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -104.01 -70.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 72.120000000000005 110.916 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.3 m-80 -63.76 -18.68 64.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 62.32 110.889 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.3 -53.32 59.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 71.299999999999997 110.849 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.74 -0.02 19.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 55.450000000000003 111.12 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.52 -17.71 14.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 75.109999999999999 110.865 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.79 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 75.540000000000006 111.112 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.2 ttp180 -100.33 -73.02 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.491 . . . . 70.439999999999998 110.872 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 54.32 110.874 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 44.6 m-85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.936 0.398 . . . . 63.039999999999999 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 9.0 mt 54.83 71.79 1.23 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.631 0.729 . . . . 72.209999999999994 110.908 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 172.05 13.39 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.73 2.287 . . . . 72.239999999999995 112.357 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.605 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.6 ptpt -118.62 34.73 5.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 62.109999999999999 110.912 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -44.41 -35.45 2.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 74.439999999999998 110.889 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.9 -10.69 8.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 73.109999999999999 110.861 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.605 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.58 -28.86 64.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 34.109999999999999 111.102 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.89 -32.86 18.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 44.240000000000002 110.89 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.515 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.94 -26.72 21.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 62.210000000000001 111.112 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.1 p -84.78 120.43 26.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 71.040000000000006 111.146 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.68 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 75.140000000000001 110.902 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.22 -77.51 0.58 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 61.420000000000002 110.9 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.56 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.8 OUTLIER -51.15 -28.66 11.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.924 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -53.25 59.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 73.310000000000002 110.898 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.63 -0.02 19.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.431 . . . . 72.420000000000002 111.073 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.41 -17.81 14.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.427 . . . . 74.439999999999998 110.853 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.43 -39.78 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 45.119999999999997 111.165 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -93.45 -73.1 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 73.129999999999995 110.879 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.886 -179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.869 0.366 . . . . 63.229999999999997 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.97 160.69 36.03 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.585 0.707 . . . . 54.340000000000003 110.882 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -30.51 22.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.648 2.232 . . . . 60.539999999999999 112.351 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.44 33.56 5.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 71.340000000000003 110.843 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -44.42 -34.92 2.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 73.140000000000001 110.953 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.547 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.58 -9.52 7.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.863 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.606 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.54 -30.54 66.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 62.299999999999997 111.082 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.76 -34.7 19.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 71.510000000000005 110.895 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.547 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -71.33 -26.83 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 71.420000000000002 111.128 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.6 p -84.87 120.49 26.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 51.520000000000003 111.126 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.79 18.45 11.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 72.140000000000001 110.911 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -119.53 -77.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 72.549999999999997 110.868 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.562 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -51.27 -28.53 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.310000000000002 110.853 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.83 -53.31 59.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.448 . . . . 61.439999999999998 110.859 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.64 0.02 19.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.277 -0.42 . . . . 75.230000000000004 111.08 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.45 -17.83 14.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 63.119999999999997 110.871 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.41 -39.77 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 111.174 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -106.26 -73.05 0.7 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 110.851 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 73.400000000000006 110.875 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.503 ' C ' HD22 ' A' ' 2' ' ' LEU . 72.1 m-85 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.914 0.388 . . . . 64.010000000000005 110.911 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.503 HD22 ' C ' ' A' ' 1' ' ' PHE . 4.5 mm? -122.67 71.28 38.94 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.598 0.714 . . . . 74.140000000000001 110.884 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 166.74 26.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 70.239999999999995 112.374 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.669 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.55 40.6 1.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 75.430000000000007 110.943 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.21 -37.69 3.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 74.239999999999995 110.901 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.53 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.1 t80 -123.07 -9.12 8.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 64.209999999999994 110.878 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.669 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.25 -29.22 63.71 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 70.25 111.103 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 -33.2 18.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 75.120000000000005 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.53 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.24 -27.01 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 74.109999999999999 111.124 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.1 p -85.06 121.04 27.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.455 . . . . 62.329999999999998 111.146 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.42 15.62 12.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 72.400000000000006 110.89 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -104.02 -70.79 0.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.252 -0.431 . . . . 65.140000000000001 110.916 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -62.96 -18.66 63.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 50.43 110.866 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.2 -53.37 59.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 63.039999999999999 110.911 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.78 0.01 19.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 75.540000000000006 111.114 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.51 -17.74 14.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 54.520000000000003 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.71 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 64.329999999999998 111.139 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 26.4 ttt180 -72.65 -73.1 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 44.329999999999998 110.881 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.1 t . . . . . 0 C--N 1.327 -0.377 0 CA-C-N 116.228 -0.442 . . . . 72.140000000000001 110.88 -179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.94 0.4 . . . . 73.109999999999999 110.912 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.4 mp 52.5 72.99 1.02 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.6 0.714 . . . . 72.439999999999998 110.87 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 143.57 51.02 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.677 2.251 . . . . 71.230000000000004 112.331 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.594 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 3.4 ptpt -118.6 35.54 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.919 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 pp -44.5 -36.28 2.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.420000000000002 110.905 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.522 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.62 -10.26 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 72.329999999999998 110.88 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.594 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.72 -28.79 63.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 53.32 111.106 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.95 -32.96 18.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.140000000000001 110.887 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.522 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.92 -26.74 21.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.445 . . . . 72.140000000000001 111.09 179.878 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.59 120.7 26.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.141 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -121.28 20.47 11.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.420000000000002 110.928 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' HD2' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -115.78 -77.93 0.57 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 110.905 179.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -54.2 -25.36 22.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.019999999999996 110.893 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -53.34 59.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.871 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.66 -0.07 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 63.100000000000001 111.134 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -104.49 -17.75 14.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 71.340000000000003 110.848 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.43 -39.77 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 62.200000000000003 111.155 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -73.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.176 -0.466 . . . . 74.510000000000005 110.889 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.3 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 63.140000000000001 110.857 -179.952 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.924 0.392 . . . . 74.530000000000001 110.847 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 mp -131.53 69.83 81.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.574 0.702 . . . . 74.209999999999994 110.906 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 120.31 7.11 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.678 2.252 . . . . 70.0 112.326 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.674 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.57 40.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 72.319999999999993 110.912 179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -44.22 -37.59 3.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 65.030000000000001 110.93 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.2 t80 -123.08 -9.15 8.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 60.240000000000002 110.882 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.674 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.23 -29.24 63.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 53.140000000000001 111.107 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 pttp -87.89 -33.25 18.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.432 . . . . 64.040000000000006 110.867 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.23 -26.98 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 64.409999999999997 111.124 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.0 p -85.06 121.01 27.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 72.140000000000001 111.167 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.79 16.67 12.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 61.030000000000001 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.11 -70.83 0.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 73.010000000000005 110.932 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.571 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -61.58 -18.73 60.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 74.010000000000005 110.863 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.21 -53.38 58.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 64.329999999999998 110.858 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.76 0.03 19.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 74.209999999999994 111.107 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.79 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.129999999999995 110.833 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.571 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.52 -39.7 30.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 62.539999999999999 111.145 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.8 ttp180 -108.63 -73.07 0.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.19 -0.459 . . . . 72.109999999999999 110.865 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.5 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.21 -0.45 . . . . 71.409999999999997 110.863 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.888 0.375 . . . . 73.140000000000001 110.886 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -125.98 70.51 67.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.599 0.714 . . . . 71.340000000000003 110.937 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 161.21 46.8 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.707 2.271 . . . . 51.420000000000002 112.319 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.684 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -108.45 40.66 1.73 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.447 . . . . 63.340000000000003 110.947 179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.2 pp -45.22 -35.88 3.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.913 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.4 t80 -123.33 -10.26 8.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 73.230000000000004 110.854 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.684 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.73 -29.79 64.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 73.120000000000005 111.09 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.1 -33.08 19.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.129999999999995 110.898 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.511 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.63 -26.69 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 74.439999999999998 111.101 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -84.89 120.95 27.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 75.209999999999994 111.172 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.96 15.63 13.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 71.310000000000002 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.74 -70.82 0.76 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 71.530000000000001 110.913 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.569 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -62.24 -18.66 61.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 110.911 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -59.25 -53.34 59.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 75.540000000000006 110.877 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.73 -0.03 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 71.120000000000005 111.086 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -104.53 -17.8 14.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.858 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.569 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.43 -39.82 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 63.409999999999997 111.126 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -83.64 -72.99 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 75.200000000000003 110.854 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 72.430000000000007 110.918 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.897 0.38 . . . . 73.340000000000003 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.88 71.27 1.0 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.577 0.703 . . . . 51.140000000000001 110.946 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.661 ' HB2' HD23 ' A' ' 5' ' ' LEU . 53.8 Cg_endo -69.75 160.19 50.63 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.644 2.229 . . . . 71.420000000000002 112.386 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.28 36.14 4.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 64.019999999999996 110.93 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.661 HD23 ' HB2' ' A' ' 3' ' ' PRO . 0.2 OUTLIER -44.06 -37.96 3.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 52.409999999999997 110.89 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.43 -9.27 8.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 74.519999999999996 110.889 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.576 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.13 -28.48 63.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 53.219999999999999 111.074 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.55 -33.22 17.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 75.319999999999993 110.923 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.537 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.48 -27.04 22.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 70.109999999999999 111.115 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p -84.88 121.12 27.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.109999999999999 111.151 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.01 15.66 12.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 65.310000000000002 110.951 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 7.1 tptt -76.5 -71.08 0.41 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.92 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.566 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.2 m-20 -76.32 -18.8 58.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 65.030000000000001 110.86 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -53.37 59.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 63.020000000000003 110.882 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.77 -0.02 19.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.058 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.53 -17.73 14.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.409999999999997 110.879 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.566 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.77 30.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -99.55 -73.07 0.64 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 71.349999999999994 110.856 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.222 -0.444 . . . . 72.019999999999996 110.868 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.863 0.364 . . . . 53.530000000000001 110.877 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.9 mt 54.35 69.48 2.11 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.611 0.72 . . . . 64.510000000000005 110.953 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 140.53 42.89 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.243 . . . . 74.349999999999994 112.378 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.578 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -119.67 29.4 7.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 52.119999999999997 110.852 179.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -41.76 -35.53 0.82 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 53.310000000000002 110.949 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.7 t80 -122.97 -9.39 8.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.530000000000001 110.892 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.578 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.97 -27.98 62.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 71.140000000000001 111.109 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 3.2 ptpt -88.93 -32.41 17.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 63.340000000000003 110.891 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.535 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.79 -27.38 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 74.129999999999995 111.143 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.5 p -85.19 120.53 26.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 75.299999999999997 111.129 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.78 19.85 11.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 61.149999999999999 110.895 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.26 -77.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.902 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.549 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.7 OUTLIER -51.65 -28.16 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 70.219999999999999 110.865 179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -53.33 59.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 70.310000000000002 110.867 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.61 -0.06 19.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.076 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.4 -17.79 14.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 75.030000000000001 110.835 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.549 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.75 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 72.030000000000001 111.093 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -79.96 -73.07 0.37 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 75.439999999999998 110.831 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 54.530000000000001 110.866 -179.915 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.858 0.361 . . . . 74.120000000000005 110.91 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.95 160.69 0.12 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.635 0.731 . . . . 64.120000000000005 110.936 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -174.6 0.95 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 61.530000000000001 112.332 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -119.81 29.2 7.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.876 179.901 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.488 HD23 ' NZ ' ' A' ' 4' ' ' LYS . 22.8 mt -42.09 -35.3 0.88 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.213 -0.448 . . . . 74.109999999999999 110.912 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.5 t80 -122.95 -9.38 8.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.219999999999999 110.853 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.79 -28.82 62.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 111.119 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.02 -32.31 18.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 110.897 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -74.24 -27.14 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.319999999999993 111.103 179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.8 p -85.1 120.45 26.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 72.209999999999994 111.133 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.82 17.74 11.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.919 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.63 -77.76 0.58 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 61.520000000000003 110.917 179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.555 ' O ' HG23 ' A' ' 17' ' ' ILE . 1.0 OUTLIER -51.19 -28.76 12.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 72.319999999999993 110.906 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -53.3 59.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 72.409999999999997 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.58 -0.0 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.230000000000004 111.165 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.39 -17.8 14.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 75.420000000000002 110.872 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.5 -39.8 30.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 74.25 111.1 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -102.44 -73.06 0.67 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 74.209999999999994 110.874 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 63.109999999999999 110.878 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.849 0.357 . . . . 73.430000000000007 110.876 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -167.91 159.63 9.57 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.598 0.713 . . . . 44.219999999999999 110.904 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -171.63 0.5 Allowed 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.659 2.239 . . . . 63.039999999999999 112.324 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.587 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -119.71 29.41 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 74.129999999999995 110.922 179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -41.7 -35.63 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 63.020000000000003 110.952 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.6 t80 -123.01 -9.34 8.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 73.230000000000004 110.826 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.587 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.95 -27.85 62.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 53.539999999999999 111.13 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.12 -32.46 17.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.32 110.895 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.524 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.72 -27.32 22.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 72.230000000000004 111.12 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.1 p -85.39 120.98 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 64.310000000000002 111.106 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.81 16.56 12.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.450000000000003 110.921 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.92 -70.77 0.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 73.209999999999994 110.867 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.57 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.4 OUTLIER -61.96 -18.67 61.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 63.100000000000001 110.829 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.19 -53.4 58.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 72.340000000000003 110.869 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 0.0 19.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 63.119999999999997 111.128 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.52 -17.78 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.447 . . . . 64.540000000000006 110.88 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.47 -39.78 30.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 62.149999999999999 111.148 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -79.62 -73.01 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 73.030000000000001 110.889 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.4 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 34.039999999999999 110.87 -179.951 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.919 0.39 . . . . 74.120000000000005 110.848 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 mt -135.14 69.63 69.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.587 0.708 . . . . 63.539999999999999 110.94 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.68 97.48 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 64.319999999999993 112.357 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.592 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 2.4 ptpt -118.51 35.52 4.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.91 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.3 pp -44.5 -36.15 2.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.253 -0.43 . . . . 74.340000000000003 110.946 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.516 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 2.3 t80 -122.69 -10.3 8.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 55.219999999999999 110.863 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.592 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -71.67 -28.74 63.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 71.25 111.075 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -87.99 -33.03 18.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 53.43 110.896 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.516 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.0 OUTLIER -73.88 -26.77 21.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 73.329999999999998 111.119 179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.3 p -84.85 120.98 27.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 74.040000000000006 111.174 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.83 16.75 12.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 73.540000000000006 110.882 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.16 -70.85 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 61.509999999999998 110.882 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.567 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -61.7 -18.69 60.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 70.329999999999998 110.913 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.22 -53.48 57.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 61.049999999999997 110.912 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.56 -0.22 19.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.019999999999996 111.089 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.03 -17.83 14.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 73.450000000000003 110.888 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.0 pt -53.0 -38.59 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 111.133 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -51.89 -75.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 63.109999999999999 110.849 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 61.530000000000001 110.874 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.878 0.371 . . . . 75.310000000000002 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 mp -131.85 160.71 66.44 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.608 0.718 . . . . 71.209999999999994 110.892 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 119.34 6.3 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 64.230000000000004 112.329 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.569 ' CB ' ' HB3' ' A' ' 7' ' ' ALA . 0.0 OUTLIER -118.58 36.48 4.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 75.439999999999998 110.858 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -43.84 -38.21 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.299999999999997 110.953 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.538 ' CZ ' HD11 ' A' ' 9' ' ' ILE . 1.9 t80 -122.53 -9.19 8.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.450000000000003 110.879 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.569 ' HB3' ' CB ' ' A' ' 4' ' ' LYS . . . -72.15 -28.13 63.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 65.120000000000005 111.116 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -88.97 -33.25 17.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 74.310000000000002 110.879 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.538 HD11 ' CZ ' ' A' ' 6' ' ' PHE . 1.1 pp -73.34 -27.08 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 72.230000000000004 111.14 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.9 p -84.95 121.12 27.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 63.119999999999997 111.106 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.0 15.67 12.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 64.530000000000001 110.899 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.53 -70.89 0.76 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 73.409999999999997 110.869 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.561 ' O ' HG23 ' A' ' 17' ' ' ILE . 0.6 OUTLIER -62.51 -18.72 62.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 73.0 110.866 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -53.3 59.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.447 . . . . 73.519999999999996 110.857 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.72 -0.04 19.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 64.120000000000005 111.095 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -104.56 -17.76 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 71.310000000000002 110.835 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.561 HG23 ' O ' ' A' ' 13' ' ' ASN . 3.1 pt -52.48 -39.74 30.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.159 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -64.48 -73.0 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 74.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 20.0 p . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.188 -0.46 . . . . 52.539999999999999 110.908 -179.922 . . . . . . . . 0 0 . 1 stop_ save_