data_1wnk_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 1wnk _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.833 0.349 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.51 -58.04 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.5 -43.59 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.2 ttp180 -60.15 -56.27 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.465 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.04 -64.6 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.084 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 pt -47.42 -31.72 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -41.25 90.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.864 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.0 mt -62.58 -47.59 83.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.38 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.32 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -67.08 -53.25 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.98 -50.41 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.8 mt-30 -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.2 tpt180 -61.63 -56.43 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.51 -65.73 0.52 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.479 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.7 pp -48.34 -31.76 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -39.88 94.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.97 -51.22 65.32 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.437 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.38 85.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -58.93 -48.02 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.724 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.23 -46.66 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -57.35 -47.82 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 5.3 ttm180 -58.85 -54.6 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -65.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.224 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 pt -47.94 -31.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -66.53 -40.35 89.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.54 -48.28 78.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.483 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -50.15 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -59.18 -42.0 89.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.24 -54.35 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.41 -41.79 76.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.15 -55.49 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.19 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.108 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -47.2 -31.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.92 -40.95 87.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.813 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.7 mt -62.54 -46.6 87.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.395 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.8 86.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -59.77 -48.12 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.15 -49.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.83 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.5 ttp180 -59.79 -55.14 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.143 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.7 pt -47.56 -31.45 2.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.91 -40.94 87.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.837 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.1 mt -62.09 -47.16 85.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.386 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.38 90.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.09 -42.91 72.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.53 -56.05 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -42.55 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.28 -55.59 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.14 -63.88 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.061 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -47.44 -31.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -40.86 88.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.789 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.6 mt -61.93 -47.16 86.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.349 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.973 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.2 -49.21 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.89 -52.82 46.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -56.35 -46.61 79.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 44.1 ttt180 -58.57 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.58 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 9' ' ' ARG . 13.5 pt -48.04 -29.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.39 -39.58 81.64 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.193 0.52 . . . . 0.0 109.822 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.0 mt -65.1 -47.61 76.61 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.415 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -51.0 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -42.59 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.97 -50.88 72.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -55.68 -43.75 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.81 -54.81 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.111 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -47.33 -31.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.95 -40.8 91.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.861 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 14.4 mt -63.31 -47.12 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.336 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.25 -51.42 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -39.96 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -60.09 -50.11 75.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.51 -44.02 76.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 24.4 ttp85 -60.12 -55.64 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 pt -47.42 -32.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -65.13 -40.39 94.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.897 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 16.6 mt -63.64 -47.9 79.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.456 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.12 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -50.78 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.25 -45.65 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.74 -49.13 76.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.798 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.65 -53.35 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.534 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.274 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 9' ' ' ARG . 5.0 pt -48.16 -28.74 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' N ' HG13 ' A' ' 8' ' ' ILE . 6.3 tpt180 -69.03 -39.84 78.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.957 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 9.5 mt -65.18 -46.63 80.0 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.509 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.158 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -55.09 28.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.39 -54.61 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 8' ' ' ILE . 11.6 mt-30 -56.02 -39.28 71.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 tpp180 -62.02 -57.53 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.222 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.2 pp -47.52 -31.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.44 -41.34 89.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.161 0.505 . . . . 0.0 109.688 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.4 mt -61.77 -47.09 86.75 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.316 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.07 95.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -43.41 79.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.86 -57.28 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.5 mt-30 -54.39 -43.07 71.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.7 tpt180 -61.94 -56.89 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.509 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.47 -65.8 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -48.44 -30.53 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 2.6 tmt_? -67.11 -40.98 86.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.201 0.524 . . . . 0.0 109.663 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.2 mt -61.45 -48.38 81.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.306 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -49.35 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.61 -36.15 81.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.71 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.45 -43.41 75.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -55.87 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.098 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -47.29 -31.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -66.05 -41.55 90.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.82 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.4 mt -62.31 -46.42 88.82 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.316 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.21 76.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -48.54 79.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.78 -49.04 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -46.27 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.04 -54.33 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.615 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -64.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.162 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 pt -47.55 -31.06 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.817 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -39.68 88.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.896 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.1 mt -65.54 -47.72 74.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.583 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.79 50.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.38 -39.24 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -61.97 -50.68 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.8 -42.68 79.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -55.15 37.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -47.51 -31.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -66.01 -41.02 91.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.752 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.48 -47.64 83.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.226 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.13 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -66.56 -40.73 89.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.872 0.367 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -88.27 179.71 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -57.99 -39.64 78.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.51 -58.04 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.5 -43.59 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.2 ttp180 -60.15 -56.27 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.465 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.04 -64.6 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.084 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 pt -47.42 -31.72 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -41.25 90.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.864 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.0 mt -62.58 -47.59 83.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.38 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.32 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -67.08 -53.25 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -46.59 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -66.67 -43.41 84.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.26 58.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.05 -46.97 86.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.54 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.721 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -69.15 -51.88 33.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -76.51 -11.29 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.452 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -148.34 56.85 1.06 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.85 89.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.9 p -112.79 161.57 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -59.7 -30.88 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.98 -50.41 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.435 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.8 mt-30 -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.43 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.2 tpt180 -61.63 -56.43 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.51 -65.73 0.52 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.479 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.7 pp -48.34 -31.76 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 -39.88 94.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.97 -51.22 65.32 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.437 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.38 85.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -58.93 -48.02 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -51.61 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.724 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -58.61 -38.33 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -47.06 86.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -60.74 -43.79 97.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.52 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.6 -46.38 90.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.99 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttp85 -62.01 -37.29 84.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -69.52 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -18.27 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.08 -64.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.775 0.322 . . . . 0.0 111.38 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.91 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -79.42 -178.34 6.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -59.89 -50.52 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.23 -46.66 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -57.35 -47.82 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.412 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 5.3 ttm180 -58.85 -54.6 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -65.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.224 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 pt -47.94 -31.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -66.53 -40.35 89.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.54 -48.28 78.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.483 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -50.15 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -59.18 -42.0 89.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -55.11 27.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.0 -38.71 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.92 -48.06 83.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.27 -42.78 92.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.787 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.81 95.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.3 -30.58 71.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.1 -50.33 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -37.78 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.59 -25.54 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.66 -76.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.257 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.867 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -84.84 165.34 17.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -58.63 -46.25 87.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.24 -54.35 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.41 -41.79 76.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.15 -55.49 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.19 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.108 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -47.2 -31.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.92 -40.95 87.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.813 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.7 mt -62.54 -46.6 87.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.395 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.8 86.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -59.77 -48.12 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -55.09 29.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -58.29 -37.26 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.65 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -45.27 93.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -49.97 75.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.67 92.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -37.69 87.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.35 -5.21 46.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.465 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.16 -30.73 50.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 111.296 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.927 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p -107.85 -171.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.59 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.15 -49.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.83 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.422 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.5 ttp180 -59.79 -55.14 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.143 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.7 pt -47.56 -31.45 2.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 ttt180 -66.91 -40.94 87.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.837 178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.1 mt -62.09 -47.16 85.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.386 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.38 90.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.09 -42.91 72.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.78 -45.82 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.45 68.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.013 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -62.04 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.38 89.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.41 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -65.22 -36.16 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -64.13 -57.62 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.52 -50.85 71.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 150.73 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.905 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.5 p -116.14 177.13 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -39.34 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.53 -56.05 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -42.55 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.407 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.28 -55.59 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.14 -63.88 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.061 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -47.44 -31.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -40.86 88.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.789 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.6 mt -61.93 -47.16 86.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.349 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.973 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.2 -49.21 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.25 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -58.45 -37.05 74.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -54.33 42.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.011 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.07 -45.47 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.41 -40.54 96.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.58 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -61.53 -36.24 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -63.3 -56.08 19.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 mp -60.0 -50.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.47 170.27 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.892 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.48 170.28 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -57.85 -38.27 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.89 -52.82 46.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -56.35 -46.61 79.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 44.1 ttt180 -58.57 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.58 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.418 HG13 ' N ' ' A' ' 9' ' ' ARG . 13.5 pt -48.04 -29.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.418 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.39 -39.58 81.64 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.193 0.52 . . . . 0.0 109.822 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.0 mt -65.1 -47.61 76.61 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.415 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -51.0 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -42.59 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -51.47 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -70.12 -36.48 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.79 94.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.26 -40.7 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.1 -51.46 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.3 -36.95 85.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.779 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -40.41 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.69 -31.25 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.85 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.94 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.781 0.324 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 t -101.3 172.56 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -57.62 -44.26 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.97 -50.88 72.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -55.68 -43.75 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.81 -54.81 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.111 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -47.33 -31.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.95 -40.8 91.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.861 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 14.4 mt -63.31 -47.12 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.336 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.25 -51.42 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -39.96 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -52.84 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -69.19 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.21 -55.41 25.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -47.27 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.96 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.62 -40.82 96.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.98 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -39.73 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -66.44 -63.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.47 -22.49 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.32 173.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 111.262 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.92 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.801 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.2 p -112.63 175.49 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -39.76 88.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -60.09 -50.11 75.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.51 -44.02 76.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.41 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 24.4 ttp85 -60.12 -55.64 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.9 pt -47.42 -32.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.679 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.2 tpt180 -65.13 -40.39 94.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.897 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 16.6 mt -63.64 -47.9 79.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.456 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.12 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -50.78 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -46.99 87.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.23 -35.62 78.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.3 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.4 -44.27 95.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.26 96.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.003 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.7 72.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -48.83 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -64.97 -30.52 71.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.05 28.05 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.05 161.14 25.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.925 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -117.21 161.88 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -58.93 -35.66 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.25 -45.65 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.74 -49.13 76.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.798 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.65 -53.35 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.534 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.274 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.455 HG13 ' N ' ' A' ' 9' ' ' ARG . 5.0 pt -48.16 -28.74 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' N ' HG13 ' A' ' 8' ' ' ILE . 6.3 tpt180 -69.03 -39.84 78.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.957 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 9.5 mt -65.18 -46.63 80.0 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.509 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.158 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -55.09 28.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -47.38 80.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -69.88 -32.16 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.77 -45.72 93.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.22 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -61.38 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.648 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -69.16 -66.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -86.76 171.5 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.064 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.868 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.796 0.332 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.1 t -104.57 172.0 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.86 -41.69 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.39 -54.61 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' O ' HG13 ' A' ' 8' ' ' ILE . 11.6 mt-30 -56.02 -39.28 71.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 tpp180 -62.02 -57.53 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.222 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.2 pp -47.52 -31.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.44 -41.34 89.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.161 0.505 . . . . 0.0 109.688 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.4 mt -61.77 -47.09 86.75 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.316 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.07 95.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -43.41 79.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -48.96 79.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.34 -39.51 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -54.0 39.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.79 -41.79 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.18 -52.59 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.8 -44.53 90.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -71.95 -32.56 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -62.9 -58.85 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -54.67 -23.66 18.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.273 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.66 153.37 3.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.858 0.361 . . . . 0.0 111.241 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.926 -179.859 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 p -73.67 176.48 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -42.89 99.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.86 -57.28 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.419 ' O ' HG13 ' A' ' 8' ' ' ILE . 1.5 mt-30 -54.39 -43.07 71.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.7 tpt180 -61.94 -56.89 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.509 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.47 -65.8 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -48.44 -30.53 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 2.6 tmt_? -67.11 -40.98 86.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.201 0.524 . . . . 0.0 109.663 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.2 mt -61.45 -48.38 81.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.306 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -49.35 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.61 -36.15 81.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -53.82 51.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -59.57 -41.76 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -45.37 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.38 -32.15 72.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.744 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.88 -51.58 31.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.6 ptt180 -70.19 -25.31 63.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.0 mt -55.25 -30.45 60.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.053 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -169.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.92 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -95.53 -176.62 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -57.51 -39.53 76.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.71 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.45 -43.41 75.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -55.87 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.098 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 pt -47.29 -31.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.732 179.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.6 ttp180 -66.05 -41.55 90.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.82 179.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.4 mt -62.31 -46.42 88.82 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.316 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.21 76.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -48.54 79.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -51.78 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -58.32 -38.11 76.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.91 65.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -45.42 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.05 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.98 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.04 68.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -74.88 -50.29 17.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -67.38 -37.8 83.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.46 -33.53 75.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.81 -69.76 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.815 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.5 p -77.65 178.5 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -61.65 -53.98 48.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.78 -49.04 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -46.27 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.404 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.04 -54.33 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.615 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -64.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.162 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 pt -47.55 -31.06 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.817 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -39.68 88.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.896 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.1 mt -65.54 -47.72 74.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.583 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.79 50.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.38 -39.24 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -52.07 60.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -69.33 -40.22 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.5 84.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.93 -43.2 91.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -59.78 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.3 -29.93 70.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.199 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -77.31 -46.29 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.3 ptt180 -62.1 -46.62 88.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.385 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.2 pp -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.049 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.25 -35.3 77.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.965 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.0 p -63.17 172.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -51.93 67.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -61.97 -50.68 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.8 -42.68 79.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.42 -55.15 37.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -47.51 -31.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -66.01 -41.02 91.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.752 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.48 -47.64 83.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.226 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.13 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -66.56 -40.73 89.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -45.71 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -68.02 -41.66 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.38 88.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.59 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.82 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.848 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -50.04 20.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ptt-85 -67.4 -28.78 68.2 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mt -58.49 -31.76 68.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.96 171.88 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.833 0.349 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.51 -58.04 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.5 -43.59 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.2 ttp180 -60.15 -56.27 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.465 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.04 -64.6 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.084 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 pt -47.42 -31.72 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -41.25 90.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.864 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.0 mt -62.58 -47.59 83.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.38 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.32 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -67.08 -53.25 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.98 -50.41 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.8 mt-30 -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.2 tpt180 -61.63 -56.43 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.51 -65.73 0.52 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.479 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 9' ' ' ARG . 2.7 pp -48.34 -31.76 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.698 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.81 -39.88 94.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.727 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.97 -51.22 65.32 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.437 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.38 85.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -58.93 -48.02 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.724 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.23 -46.66 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -57.35 -47.82 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 5.3 ttm180 -58.85 -54.6 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -65.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.224 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.618 HD12 ' NH1' ' A' ' 12' ' ' ARG . 43.5 pt -47.94 -31.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -66.53 -40.35 89.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.54 -48.28 78.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.483 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -50.15 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' NH1' HD12 ' A' ' 8' ' ' ILE . 2.6 mtt180 -59.18 -42.0 89.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.24 -54.35 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.41 -41.79 76.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.15 -55.49 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.19 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.108 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -47.2 -31.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.92 -40.95 87.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.813 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.7 mt -62.54 -46.6 87.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.395 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.8 86.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -59.77 -48.12 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.15 -49.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.83 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.5 ttp180 -59.79 -55.14 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.143 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 46.7 pt -47.56 -31.45 2.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 13.5 ttt180 -66.91 -40.94 87.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.837 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.1 mt -62.09 -47.16 85.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.386 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.38 90.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.09 -42.91 72.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.53 -56.05 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -42.55 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.28 -55.59 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.14 -63.88 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.061 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -47.44 -31.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -40.86 88.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.789 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.6 mt -61.93 -47.16 86.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.349 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.973 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.2 -49.21 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.89 -52.82 46.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -56.35 -46.61 79.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 44.1 ttt180 -58.57 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.58 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 9' ' ' ARG . 13.5 pt -48.04 -29.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.39 -39.58 81.64 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.193 0.52 . . . . 0.0 109.822 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.0 mt -65.1 -47.61 76.61 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.415 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -51.0 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -42.59 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.97 -50.88 72.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -55.68 -43.75 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.81 -54.81 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.111 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -47.33 -31.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.95 -40.8 91.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.861 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 6' ' ' ARG . 14.4 mt -63.31 -47.12 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.336 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.25 -51.42 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -39.96 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -60.09 -50.11 75.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.51 -44.02 76.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 24.4 ttp85 -60.12 -55.64 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 49.9 pt -47.42 -32.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.679 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 2.2 tpt180 -65.13 -40.39 94.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.897 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 16.6 mt -63.64 -47.9 79.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.456 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.12 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -50.78 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.25 -45.65 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.74 -49.13 76.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.798 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.65 -53.35 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.534 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.274 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 9' ' ' ARG . 5.0 pt -48.16 -28.74 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 8' ' ' ILE . 6.3 tpt180 -69.03 -39.84 78.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.957 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 9.5 mt -65.18 -46.63 80.0 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.509 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.158 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -55.09 28.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.39 -54.61 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 8' ' ' ILE . 11.6 mt-30 -56.02 -39.28 71.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 tpp180 -62.02 -57.53 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.222 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.2 pp -47.52 -31.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.44 -41.34 89.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.161 0.505 . . . . 0.0 109.688 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.4 mt -61.77 -47.09 86.75 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.316 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.07 95.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -43.41 79.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.86 -57.28 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HA ' HD11 ' A' ' 8' ' ' ILE . 1.5 mt-30 -54.39 -43.07 71.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.7 tpt180 -61.94 -56.89 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.509 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.47 -65.8 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -48.44 -30.53 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 2.6 tmt_? -67.11 -40.98 86.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.201 0.524 . . . . 0.0 109.663 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.2 mt -61.45 -48.38 81.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.306 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -49.35 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.61 -36.15 81.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.71 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.45 -43.41 75.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -55.87 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.098 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 9' ' ' ARG . 48.4 pt -47.29 -31.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.732 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 8' ' ' ILE . 7.6 ttp180 -66.05 -41.55 90.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.82 179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.4 mt -62.31 -46.42 88.82 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.316 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.21 76.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -48.54 79.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.78 -49.04 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -46.27 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.04 -54.33 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.615 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -64.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.162 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 pt -47.55 -31.06 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.817 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -39.68 88.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.896 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.1 mt -65.54 -47.72 74.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.583 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.79 50.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.38 -39.24 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -61.97 -50.68 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.8 -42.68 79.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.6 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.42 -55.15 37.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -47.51 -31.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -66.01 -41.02 91.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.752 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 6' ' ' ARG . 18.0 mt -62.48 -47.64 83.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.226 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.13 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -66.56 -40.73 89.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.872 0.367 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -88.27 179.71 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -57.99 -39.64 78.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.51 -58.04 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.5 -43.59 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.2 ttp180 -60.15 -56.27 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.465 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.04 -64.6 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.084 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 pt -47.42 -31.72 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -41.25 90.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.864 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.0 mt -62.58 -47.59 83.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.38 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.32 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -67.08 -53.25 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -46.59 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -66.67 -43.41 84.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.26 58.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.05 -46.97 86.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.54 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.721 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -69.15 -51.88 33.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -76.51 -11.29 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.452 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -148.34 56.85 1.06 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.85 89.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.9 p -112.79 161.57 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -59.7 -30.88 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.98 -50.41 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.8 mt-30 -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.2 tpt180 -61.63 -56.43 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.51 -65.73 0.52 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.479 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 9' ' ' ARG . 2.7 pp -48.34 -31.76 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.698 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.81 -39.88 94.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.727 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.97 -51.22 65.32 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.437 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.38 85.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -58.93 -48.02 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -51.61 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.724 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -58.61 -38.33 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -47.06 86.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -60.74 -43.79 97.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.52 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -61.6 -46.38 90.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.99 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttp85 -62.01 -37.29 84.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -69.52 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -18.27 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -51.08 -64.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.775 0.322 . . . . 0.0 111.38 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.91 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -79.42 -178.34 6.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -59.89 -50.52 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.23 -46.66 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -57.35 -47.82 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 5.3 ttm180 -58.85 -54.6 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -65.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.224 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.618 HD12 ' NH1' ' A' ' 12' ' ' ARG . 43.5 pt -47.94 -31.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -66.53 -40.35 89.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.54 -48.28 78.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.483 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -50.15 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' NH1' HD12 ' A' ' 8' ' ' ILE . 2.6 mtt180 -59.18 -42.0 89.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -55.11 27.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.0 -38.71 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.92 -48.06 83.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.27 -42.78 92.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.787 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.81 95.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -66.3 -30.58 71.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.1 -50.33 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -37.78 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.59 -25.54 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -54.66 -76.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.867 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -84.84 165.34 17.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -58.63 -46.25 87.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.24 -54.35 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.41 -41.79 76.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.15 -55.49 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.19 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.108 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -47.2 -31.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.92 -40.95 87.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.813 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.7 mt -62.54 -46.6 87.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.395 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.8 86.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -59.77 -48.12 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -55.09 29.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -58.29 -37.26 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.65 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -45.27 93.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -49.97 75.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -59.44 -44.67 92.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -37.69 87.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.35 -5.21 46.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.465 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -54.16 -30.73 50.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 111.296 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.927 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p -107.85 -171.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.59 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.15 -49.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.83 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.5 ttp180 -59.79 -55.14 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.143 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 46.7 pt -47.56 -31.45 2.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 13.5 ttt180 -66.91 -40.94 87.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.837 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.1 mt -62.09 -47.16 85.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.386 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.38 90.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.09 -42.91 72.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.78 -45.82 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.45 68.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.013 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -62.04 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.38 89.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.41 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -65.22 -36.16 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -64.13 -57.62 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.52 -50.85 71.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 150.73 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.905 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.5 p -116.14 177.13 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -39.34 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.53 -56.05 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -42.55 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.28 -55.59 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.14 -63.88 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.061 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -47.44 -31.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -40.86 88.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.789 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.6 mt -61.93 -47.16 86.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.349 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.973 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.2 -49.21 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.25 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -58.45 -37.05 74.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -54.33 42.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.011 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.07 -45.47 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -62.41 -40.54 96.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.58 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -61.53 -36.24 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -63.3 -56.08 19.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 17' ' ' ALA . 2.2 mp -60.0 -50.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.47 170.27 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.892 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -109.48 170.28 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -57.85 -38.27 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.89 -52.82 46.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.525 ' H ' HG23 ' A' ' 2' ' ' THR . 27.8 mt-30 -56.35 -46.61 79.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 44.1 ttt180 -58.57 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.58 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 9' ' ' ARG . 13.5 pt -48.04 -29.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.39 -39.58 81.64 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.193 0.52 . . . . 0.0 109.822 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.0 mt -65.1 -47.61 76.61 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.415 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -51.0 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -42.59 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -51.47 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -70.12 -36.48 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.79 94.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.26 -40.7 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -63.1 -51.46 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.3 -36.95 85.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.779 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -40.41 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -59.69 -31.25 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.85 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.94 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.781 0.324 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.498 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.4 t -101.3 172.56 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -57.62 -44.26 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.97 -50.88 72.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' H ' HG23 ' A' ' 2' ' ' THR . 37.2 mt-30 -55.68 -43.75 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.81 -54.81 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.111 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -47.33 -31.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.95 -40.8 91.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.861 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 6' ' ' ARG . 14.4 mt -63.31 -47.12 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.336 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.25 -51.42 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -39.96 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -52.84 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -69.19 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.21 -55.41 25.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -47.27 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.96 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -61.62 -40.82 96.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -39.73 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -66.44 -63.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.47 -22.49 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -53.32 173.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 111.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.92 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.801 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.2 p -112.63 175.49 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -39.76 88.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -60.09 -50.11 75.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.51 -44.02 76.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 24.4 ttp85 -60.12 -55.64 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 49.9 pt -47.42 -32.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.679 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 2.2 tpt180 -65.13 -40.39 94.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.897 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 16.6 mt -63.64 -47.9 79.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.456 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.12 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -50.78 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -46.99 87.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.23 -35.62 78.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.3 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.4 -44.27 95.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.26 96.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.003 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.7 72.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -48.83 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -64.97 -30.52 71.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.05 28.05 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.05 161.14 25.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.925 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -117.21 161.88 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -58.93 -35.66 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.25 -45.65 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.74 -49.13 76.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.798 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.65 -53.35 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.534 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.274 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 9' ' ' ARG . 5.0 pt -48.16 -28.74 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 8' ' ' ILE . 6.3 tpt180 -69.03 -39.84 78.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.957 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 9.5 mt -65.18 -46.63 80.0 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.509 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -55.09 28.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -47.38 80.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -69.88 -32.16 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -60.77 -45.72 93.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.64 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -59.08 -41.22 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -61.38 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.648 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -69.16 -66.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . -86.76 171.5 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.868 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.796 0.332 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.483 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.1 t -104.57 172.0 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.86 -41.69 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.39 -54.61 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' H ' HG23 ' A' ' 2' ' ' THR . 11.6 mt-30 -56.02 -39.28 71.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 tpp180 -62.02 -57.53 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.222 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.2 pp -47.52 -31.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.44 -41.34 89.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.161 0.505 . . . . 0.0 109.688 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.4 mt -61.77 -47.09 86.75 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.316 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.07 95.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -43.41 79.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -48.96 79.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.34 -39.51 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -54.0 39.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.79 -41.79 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.18 -52.59 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -58.8 -44.53 90.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 4.8 tpp180 -71.95 -32.56 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -62.9 -58.85 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 18' ' ' ALA . 1.6 pp -54.67 -23.66 18.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.273 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -52.66 153.37 3.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.858 0.361 . . . . 0.0 111.241 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.926 -179.859 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 p -73.67 176.48 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -42.89 99.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.86 -57.28 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HA ' HD11 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -54.39 -43.07 71.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.7 tpt180 -61.94 -56.89 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.509 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.47 -65.8 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -48.44 -30.53 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 2.6 tmt_? -67.11 -40.98 86.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.201 0.524 . . . . 0.0 109.663 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.2 mt -61.45 -48.38 81.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.306 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -49.35 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.61 -36.15 81.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -53.82 51.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -59.57 -41.76 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -61.2 -45.37 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HA ' HD12 ' A' ' 21' ' ' LEU . . . -61.38 -32.15 72.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.744 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.88 -51.58 31.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 27.6 ptt180 -70.19 -25.31 63.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 18' ' ' ALA . 8.0 mt -55.25 -30.45 60.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.053 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -169.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.92 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -95.53 -176.62 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -57.51 -39.53 76.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.71 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.45 -43.41 75.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -55.87 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.098 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 9' ' ' ARG . 48.4 pt -47.29 -31.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.732 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 8' ' ' ILE . 7.6 ttp180 -66.05 -41.55 90.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.82 179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.4 mt -62.31 -46.42 88.82 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.316 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.21 76.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -48.54 79.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -51.78 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -58.32 -38.11 76.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.91 65.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -45.42 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.05 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.98 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.04 68.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -74.88 -50.29 17.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -67.38 -37.8 83.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.46 -33.53 75.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.81 -69.76 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.815 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.5 p -77.65 178.5 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -61.65 -53.98 48.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.78 -49.04 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -46.27 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.04 -54.33 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.615 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -64.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.162 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 pt -47.55 -31.06 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.817 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -39.68 88.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.896 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.1 mt -65.54 -47.72 74.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.583 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.79 50.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.38 -39.24 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -52.07 60.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -69.33 -40.22 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.5 84.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.93 -43.2 91.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -59.78 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.642 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -61.3 -29.93 70.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.199 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -77.31 -46.29 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.3 ptt180 -62.1 -46.62 88.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.385 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 18' ' ' ALA . 4.2 pp -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.049 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.538 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -68.25 -35.3 77.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.965 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.0 p -63.17 172.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -51.93 67.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -61.97 -50.68 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.8 -42.68 79.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.6 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.42 -55.15 37.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -47.51 -31.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -66.01 -41.02 91.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.752 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 6' ' ' ARG . 18.0 mt -62.48 -47.64 83.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.226 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.13 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -66.56 -40.73 89.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -45.71 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -68.02 -41.66 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.38 88.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.59 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -60.82 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 21' ' ' LEU . . . -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.848 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -50.04 20.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 1.2 ptt-85 -67.4 -28.78 68.2 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 18' ' ' ALA . 9.0 mt -58.49 -31.76 68.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.96 171.88 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.833 0.349 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.51 -58.04 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.5 -43.59 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.2 ttp180 -60.15 -56.27 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.465 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.04 -64.6 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.084 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 pt -47.42 -31.72 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -41.25 90.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.864 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.0 mt -62.58 -47.59 83.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.38 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.32 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -67.08 -53.25 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.98 -50.41 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.8 mt-30 -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.2 tpt180 -61.63 -56.43 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.51 -65.73 0.52 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.479 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 9' ' ' ARG . 2.7 pp -48.34 -31.76 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.698 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.81 -39.88 94.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.97 -51.22 65.32 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.437 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.38 85.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -58.93 -48.02 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.724 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.824 0.345 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.23 -46.66 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -57.35 -47.82 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 5.3 ttm180 -58.85 -54.6 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -65.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.224 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.618 HD12 ' NH1' ' A' ' 12' ' ' ARG . 43.5 pt -47.94 -31.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -66.53 -40.35 89.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.54 -48.28 78.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.483 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -50.15 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.618 ' NH1' HD12 ' A' ' 8' ' ' ILE . 2.6 mtt180 -59.18 -42.0 89.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.854 0.359 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.24 -54.35 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.41 -41.79 76.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.15 -55.49 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.19 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.108 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -47.2 -31.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.92 -40.95 87.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.813 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.7 mt -62.54 -46.6 87.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.395 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.8 86.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -59.77 -48.12 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.79 0.329 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.15 -49.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.83 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.5 ttp180 -59.79 -55.14 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.143 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 46.7 pt -47.56 -31.45 2.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 13.5 ttt180 -66.91 -40.94 87.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.837 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.1 mt -62.09 -47.16 85.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.386 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.38 90.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.09 -42.91 72.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.787 0.327 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.53 -56.05 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -42.55 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.28 -55.59 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.14 -63.88 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.061 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -47.44 -31.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -40.86 88.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.789 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.6 mt -61.93 -47.16 86.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.349 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.973 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.2 -49.21 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.361 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.89 -52.82 46.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.8 mt-30 -56.35 -46.61 79.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 44.1 ttt180 -58.57 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.58 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 9' ' ' ARG . 13.5 pt -48.04 -29.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.39 -39.58 81.64 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.193 0.52 . . . . 0.0 109.822 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.0 mt -65.1 -47.61 76.61 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.415 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -51.0 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -42.59 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.824 0.345 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.97 -50.88 72.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -55.68 -43.75 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.81 -54.81 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.111 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -47.33 -31.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.95 -40.8 91.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.861 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 6' ' ' ARG . 14.4 mt -63.31 -47.12 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.336 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.25 -51.42 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -39.96 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.812 0.339 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -60.09 -50.11 75.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.51 -44.02 76.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 24.4 ttp85 -60.12 -55.64 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 49.9 pt -47.42 -32.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.679 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 2.2 tpt180 -65.13 -40.39 94.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.897 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 16.6 mt -63.64 -47.9 79.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.456 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.12 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -50.78 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.805 0.336 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.25 -45.65 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.74 -49.13 76.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.798 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.65 -53.35 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.534 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.274 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 9' ' ' ARG . 5.0 pt -48.16 -28.74 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 8' ' ' ILE . 6.3 tpt180 -69.03 -39.84 78.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.957 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 9.5 mt -65.18 -46.63 80.0 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.509 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.158 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -55.09 28.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.812 0.339 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.39 -54.61 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.403 ' O ' HG13 ' A' ' 8' ' ' ILE . 11.6 mt-30 -56.02 -39.28 71.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 tpp180 -62.02 -57.53 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.222 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.2 pp -47.52 -31.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.44 -41.34 89.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.161 0.505 . . . . 0.0 109.688 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.4 mt -61.77 -47.09 86.75 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.316 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.07 95.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -43.41 79.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.794 0.33 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.86 -57.28 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HA ' HD11 ' A' ' 8' ' ' ILE . 1.5 mt-30 -54.39 -43.07 71.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.7 tpt180 -61.94 -56.89 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.509 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.47 -65.8 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -48.44 -30.53 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 2.6 tmt_? -67.11 -40.98 86.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.201 0.524 . . . . 0.0 109.663 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.2 mt -61.45 -48.38 81.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.306 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -49.35 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.61 -36.15 81.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.864 0.364 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.71 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.45 -43.41 75.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -55.87 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.098 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 9' ' ' ARG . 48.4 pt -47.29 -31.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.732 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 8' ' ' ILE . 7.6 ttp180 -66.05 -41.55 90.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.82 179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.4 mt -62.31 -46.42 88.82 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.316 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.21 76.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -48.54 79.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.878 0.37 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.78 -49.04 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -46.27 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.04 -54.33 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.615 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -64.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.162 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 pt -47.55 -31.06 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.817 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -39.68 88.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.896 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.1 mt -65.54 -47.72 74.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.583 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.79 50.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.38 -39.24 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.804 0.335 . . . . 0.0 110.819 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -61.97 -50.68 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.8 -42.68 79.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.6 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.42 -55.15 37.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -47.51 -31.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -66.01 -41.02 91.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.752 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 6' ' ' ARG . 18.0 mt -62.48 -47.64 83.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.226 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.13 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -66.56 -40.73 89.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.872 0.367 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 69.8 p -88.27 179.71 6.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -57.99 -39.64 78.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.997 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -69.51 -58.04 4.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.968 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -56.5 -43.59 79.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.074 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.426 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 23.2 ttp180 -60.15 -56.27 23.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.465 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.04 -64.6 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.084 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.5 pt -47.42 -31.72 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.733 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -66.17 -41.25 90.58 Favored 'General case' 0 N--CA 1.453 -0.28 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.864 179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.0 mt -62.58 -47.59 83.17 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.38 179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.89 -41.32 99.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.149 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.8 mtp85 -67.08 -53.25 32.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.028 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -46.59 88.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -66.67 -43.41 84.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.77 -53.26 58.44 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 16.5 t80 -59.05 -46.97 86.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.762 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.47 -43.54 93.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.87 -34.38 74.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.721 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.0 ttm-85 -69.15 -51.88 33.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.851 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -76.51 -11.29 59.85 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.452 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 55.2 mt -148.34 56.85 1.06 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 120.898 0.38 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.85 89.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.0 p30 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.896 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.854 0.359 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 24.9 p -112.79 161.57 16.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.919 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 15.2 ttt-85 -59.7 -30.88 69.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -67.98 -50.41 55.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.835 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' O ' HG13 ' A' ' 8' ' ' ILE . 2.8 mt-30 -59.94 -46.62 88.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.951 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.442 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 1.2 tpt180 -61.63 -56.43 19.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.593 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.51 -65.73 0.52 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.479 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.698 HD12 ' N ' ' A' ' 9' ' ' ARG . 2.7 pp -48.34 -31.76 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.733 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.698 ' N ' HD12 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -64.81 -39.88 94.3 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 178.727 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.97 -51.22 65.32 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.437 179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.92 -47.38 85.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.153 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -58.93 -48.02 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.53 -51.61 69.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.724 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 2.9 t -58.61 -38.33 77.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.73 -47.06 86.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.933 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -60.74 -43.79 97.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.75 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.22 -42.52 99.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.001 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.668 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -61.6 -46.38 90.09 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.99 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 32.3 ttp85 -62.01 -37.29 84.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -69.52 -64.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.45 -18.27 61.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.345 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.668 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -51.08 -64.1 0.92 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.775 0.322 . . . . 0.0 111.38 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.3 p30 . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.91 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.839 0.352 . . . . 0.0 111.194 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.6 p -79.42 -178.34 6.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -59.89 -50.52 73.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -59.23 -46.66 87.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -57.35 -47.82 80.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.051 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 5.3 ttm180 -58.85 -54.6 45.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.562 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.88 -65.13 0.62 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.224 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.618 HD12 ' NH1' ' A' ' 12' ' ' ARG . 43.5 pt -47.94 -31.21 2.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.627 179.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -66.53 -40.35 89.09 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.807 178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 15.6 mt -63.54 -48.28 78.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.483 179.327 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.71 -50.15 74.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.176 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.618 ' NH1' HD12 ' A' ' 8' ' ' ILE . 2.6 mtt180 -59.18 -42.0 89.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.992 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.32 -55.11 27.32 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.995 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.6 t -66.0 -38.71 89.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.094 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.92 -48.06 83.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.936 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -59.27 -42.78 92.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.787 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.81 95.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -66.3 -30.58 71.03 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.714 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.1 -50.33 14.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -37.78 80.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.006 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 97.4 mt -73.59 -25.54 60.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -54.66 -76.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.257 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.204 -0.903 . . . . 0.0 110.867 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.826 0.346 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.1 p -84.84 165.34 17.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 36.8 ttt180 -58.63 -46.25 87.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.96 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -64.24 -54.35 34.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -56.41 -41.79 76.91 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -60.15 -55.49 33.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.514 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.19 -63.64 1.07 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.108 179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.7 pt -47.2 -31.41 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.746 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -66.92 -40.95 87.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.813 179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.7 mt -62.54 -46.6 87.66 Favored 'General case' 0 N--CA 1.448 -0.552 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.395 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.85 -46.8 86.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.174 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -59.77 -48.12 82.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.71 -55.09 29.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 t -58.29 -37.26 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.115 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.65 34.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -59.93 -45.27 93.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -49.97 75.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.166 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.578 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -59.44 -44.67 92.89 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.007 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.37 -37.69 87.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.941 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.49 -60.0 4.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.7 mt -76.35 -5.21 46.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.465 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.578 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -54.16 -30.73 50.44 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.789 0.328 . . . . 0.0 111.296 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.18 -0.914 . . . . 0.0 110.927 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.854 0.359 . . . . 0.0 111.182 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.2 p -107.85 -171.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -40.59 90.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -61.15 -49.59 76.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.7 -43.83 80.94 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 10.5 ttp180 -59.79 -55.14 37.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.523 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.0 -64.15 0.9 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.143 179.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 46.7 pt -47.56 -31.45 2.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.715 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 13.5 ttt180 -66.91 -40.94 87.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.892 -0.594 . . . . 0.0 109.837 178.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.1 mt -62.09 -47.16 85.87 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.386 179.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.43 -46.38 90.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -70.09 -42.91 72.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.48 -43.42 98.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.78 -45.82 70.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.007 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.29 -51.45 68.83 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.013 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -62.04 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.38 89.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -60.44 -49.41 77.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.008 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -65.22 -36.16 83.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.822 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -64.13 -57.62 9.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.52 -50.85 71.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.79 150.73 27.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.118 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.905 179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.853 0.359 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.5 p -116.14 177.13 4.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -39.34 85.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -65.53 -56.05 14.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.41 -42.55 74.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.417 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.28 -55.59 31.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.14 -63.88 0.98 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.061 179.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.3 pt -47.44 -31.71 2.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.709 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.74 -40.86 88.5 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.789 179.005 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 17.6 mt -61.93 -47.16 86.13 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.349 179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.23 -50.8 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.973 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -59.2 -49.21 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.88 -53.25 59.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.787 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.2 t -58.45 -37.05 74.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.25 -54.33 42.4 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.011 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -60.07 -45.47 92.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.824 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.578 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -62.41 -40.54 96.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.52 -50.58 72.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.002 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.9 ttp-105 -61.53 -36.24 80.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.829 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -63.3 -56.08 19.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.578 HD12 ' O ' ' A' ' 17' ' ' ALA . 2.2 mp -60.0 -50.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.47 170.27 12.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.069 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.892 179.974 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.849 0.357 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 5' ' ' GLN . 0.7 OUTLIER -109.48 170.28 8.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 26.8 ttt-85 -57.85 -38.27 75.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -65.89 -52.82 46.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.015 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.525 ' H ' HG23 ' A' ' 2' ' ' THR . 27.8 mt-30 -56.35 -46.61 79.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.408 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 44.1 ttt180 -58.57 -54.02 51.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.58 0.76 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.131 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG13 ' N ' ' A' ' 9' ' ' ARG . 13.5 pt -48.04 -29.17 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.876 179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.438 ' N ' HG13 ' A' ' 8' ' ' ILE . 0.0 OUTLIER -68.39 -39.58 81.64 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.193 0.52 . . . . 0.0 109.822 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.0 mt -65.1 -47.61 76.61 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.415 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.35 -51.0 67.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.181 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -42.59 89.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.62 -51.47 69.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -70.12 -36.48 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.02 -44.79 94.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.113 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -61.26 -40.7 95.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.574 ' O ' HD12 ' A' ' 21' ' ' LEU . . . -63.1 -51.46 66.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.116 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -58.7 -46.82 86.45 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.906 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -65.3 -36.95 85.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.779 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -62.44 -40.41 96.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.905 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.574 HD12 ' O ' ' A' ' 17' ' ' ALA . 0.5 OUTLIER -59.69 -31.25 69.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.929 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.06 150.85 25.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.129 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 . . . . . 0 C--O 1.25 1.084 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.94 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.781 0.324 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.498 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.4 t -101.3 172.56 6.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.956 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 16.1 ttt85 -57.62 -44.26 85.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.99 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -59.97 -50.88 72.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.498 ' H ' HG23 ' A' ' 2' ' ' THR . 37.2 mt-30 -55.68 -43.75 76.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.497 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.81 -54.81 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.624 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.87 -64.25 0.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.111 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.2 pt -47.33 -31.71 2.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.742 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -65.95 -40.8 91.66 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.861 179.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 HD21 ' HD3' ' A' ' 6' ' ' ARG . 14.4 mt -63.31 -47.12 83.58 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.568 -0.742 . . . . 0.0 110.336 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.25 -51.42 63.73 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.092 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.68 -39.96 93.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.934 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.14 -52.84 63.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.844 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -69.19 -31.7 70.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.043 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.21 -55.41 25.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -63.23 -47.27 83.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.943 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.07 -46.96 87.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.078 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.667 ' O ' ' HB2' ' A' ' 22' ' ' ALA . . . -61.62 -40.82 96.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.98 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 -39.73 93.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.2 mmp_? -66.44 -63.13 1.14 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.913 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 14.0 mt -61.47 -22.49 65.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.193 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 18' ' ' ALA . . . -53.32 173.68 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.869 0.366 . . . . 0.0 111.262 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.92 -179.99 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.801 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 33.2 p -112.63 175.49 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -39.76 88.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 54.0 tt0 -60.09 -50.11 75.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -55.51 -44.02 76.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.421 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 24.4 ttp85 -60.12 -55.64 31.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.526 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.152 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 9' ' ' ARG . 49.9 pt -47.42 -32.6 2.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.679 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' N ' HG13 ' A' ' 8' ' ' ILE . 2.2 tpt180 -65.13 -40.39 94.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.897 178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 16.6 mt -63.64 -47.9 79.47 Favored 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.456 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.96 -51.12 70.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.142 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -50.78 72.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -46.99 87.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.845 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.23 -35.62 78.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.954 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.59 -47.3 86.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -60.4 -44.27 95.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.762 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.57 -40.26 96.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.003 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.55 -31.7 72.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.859 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.6 -48.83 36.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.917 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptt180 -64.97 -30.52 71.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.05 28.05 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.051 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -80.05 161.14 25.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.064 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.925 179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.901 0.381 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.3 p -117.21 161.88 18.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -58.93 -35.66 73.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -63.25 -45.65 90.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -56.74 -49.13 76.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.798 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.424 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -58.65 -53.35 59.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.534 179.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.77 -64.42 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.274 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 9' ' ' ARG . 5.0 pt -48.16 -28.74 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.889 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.47 ' N ' HG13 ' A' ' 8' ' ' ILE . 6.3 tpt180 -69.03 -39.84 78.98 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.957 179.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 9.5 mt -65.18 -46.63 80.0 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.509 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 15' ' ' ALA . . . -61.28 -44.57 97.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.158 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -55.09 28.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -47.38 80.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.3 t -69.88 -32.16 70.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.816 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.481 ' HB2' ' O ' ' A' ' 11' ' ' ALA . . . -60.77 -45.72 93.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 88.9 t80 -60.64 -44.67 96.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.664 179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.35 -51.57 67.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.946 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.64 ' O ' ' HB3' ' A' ' 22' ' ' ALA . . . -59.08 -41.22 87.48 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.852 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.8 tpp180 -61.38 -36.96 81.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.648 179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mtm180 -69.16 -66.55 0.56 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.9 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.29 -47.19 86.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.055 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . -86.76 171.5 10.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.064 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 12.4 p-10 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.868 179.989 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.796 0.332 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.483 HG23 ' H ' ' A' ' 5' ' ' GLN . 1.1 t -104.57 172.0 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.87 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -56.86 -41.69 78.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.5 tp10 -62.39 -54.61 37.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.932 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.483 ' H ' HG23 ' A' ' 2' ' ' THR . 11.6 mt-30 -56.02 -39.28 71.7 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.098 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.416 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 8.8 tpp180 -62.02 -57.53 11.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.549 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -63.99 0.95 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.222 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 5' ' ' GLN . 2.2 pp -47.52 -31.26 2.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.86 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tmm_? -66.44 -41.34 89.28 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.161 0.505 . . . . 0.0 109.688 178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.4 mt -61.77 -47.09 86.75 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.316 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -43.07 95.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.071 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.88 -43.41 79.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.74 -48.96 79.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -68.34 -39.51 81.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.31 -54.0 39.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.179 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -60.79 -41.79 96.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.18 -52.59 64.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.512 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -58.8 -44.53 90.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' O ' ' HB3' ' A' ' 22' ' ' ALA . 4.8 tpp180 -71.95 -32.56 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.4 mmm-85 -62.9 -58.85 5.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.055 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.512 HD21 ' HA ' ' A' ' 18' ' ' ALA . 1.6 pp -54.67 -23.66 18.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.273 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 19' ' ' ARG . . . -52.66 153.37 3.2 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.858 0.361 . . . . 0.0 111.241 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 63.4 t30 . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.926 -179.859 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.82 0.343 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 22.2 p -73.67 176.48 6.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.47 -42.89 99.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -64.86 -57.28 9.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.616 ' HA ' HD11 ' A' ' 8' ' ' ILE . 1.5 mt-30 -54.39 -43.07 71.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 7.7 tpt180 -61.94 -56.89 14.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.509 179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.47 -65.8 0.51 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.253 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.616 HD11 ' HA ' ' A' ' 5' ' ' GLN . 0.8 OUTLIER -48.44 -30.53 2.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.574 179.558 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' O ' ' A' ' 5' ' ' GLN . 2.6 tmt_? -67.11 -40.98 86.98 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-O 121.201 0.524 . . . . 0.0 109.663 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 18.2 mt -61.45 -48.38 81.42 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.306 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -59.71 -49.35 78.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.904 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 mtp180 -62.61 -36.15 81.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.735 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.44 -53.82 51.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.738 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.4 t -59.57 -41.76 90.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.25 -50.85 68.57 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.994 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.71 -42.21 83.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.765 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.405 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -61.2 -45.37 94.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.827 179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' HA ' HD12 ' A' ' 21' ' ' LEU . . . -61.38 -32.15 72.07 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.744 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -69.88 -51.58 31.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 27.6 ptt180 -70.19 -25.31 63.36 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.153 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 18' ' ' ALA . 8.0 mt -55.25 -30.45 60.1 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.053 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.97 -169.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.065 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.92 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.825 0.345 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.4 p -95.53 -176.62 3.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.938 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.4 ttt85 -57.51 -39.53 76.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.944 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -68.71 -59.41 3.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.997 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 mp0 -55.45 -43.41 75.41 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.065 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.425 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -60.02 -55.87 28.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.488 179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.63 -64.26 0.86 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.098 179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.407 HG13 ' N ' ' A' ' 9' ' ' ARG . 48.4 pt -47.29 -31.68 2.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.732 179.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.407 ' N ' HG13 ' A' ' 8' ' ' ILE . 7.6 ttp180 -66.05 -41.55 90.68 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.82 179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 21.4 mt -62.31 -46.42 88.82 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.316 179.324 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -48.21 76.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.074 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.58 -48.54 79.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.14 -51.78 68.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.3 t -58.32 -38.11 76.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.38 -51.91 65.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.907 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -45.42 92.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.825 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.55 -36.05 81.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.98 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.58 -30.04 68.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.723 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -74.88 -50.29 17.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 ppt_? -67.38 -37.8 83.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.978 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 28.4 mt -66.46 -33.53 75.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.81 -69.76 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.815 0.34 . . . . 0.0 111.215 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 18.5 p -77.65 178.5 7.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tpp180 -61.65 -53.98 48.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -61.78 -49.04 77.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.003 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -56.63 -46.27 81.06 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.415 ' O ' ' HG ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -59.04 -54.33 48.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.615 179.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.56 -64.62 0.75 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.162 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.6 pt -47.55 -31.06 2.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.817 179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.6 -39.68 88.5 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.896 179.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 6' ' ' ARG . 10.1 mt -65.54 -47.72 74.91 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.583 179.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.79 50.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.239 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -58.38 -39.24 79.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.31 -52.07 60.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.4 t -69.33 -40.22 77.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.67 -47.5 84.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.076 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -58.93 -43.2 91.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -59.78 -48.67 80.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.054 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.642 ' HA ' HD21 ' A' ' 21' ' ' LEU . . . -61.3 -29.93 70.17 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.199 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.8 mtp180 -77.31 -46.29 23.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.431 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 21.3 ptt180 -62.1 -46.62 88.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.385 -179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.642 HD21 ' HA ' ' A' ' 18' ' ' ALA . 4.2 pp -65.06 -29.95 70.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 111.049 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.538 ' N ' HD12 ' A' ' 21' ' ' LEU . . . -68.25 -35.3 77.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.079 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.0 t30 . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.965 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.862 0.363 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.0 p -63.17 172.72 1.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -51.93 67.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.819 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -61.97 -50.68 71.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.849 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 7.1 mt-30 -56.8 -42.68 79.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.6 ' HD3' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -60.42 -55.15 37.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -63.84 1.0 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.996 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.6 pt -47.51 -31.7 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.693 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.6 tpp180 -66.01 -41.02 91.55 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.752 179.014 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.6 HD21 ' HD3' ' A' ' 6' ' ' ARG . 18.0 mt -62.48 -47.64 83.11 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.226 179.224 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.0 -46.13 85.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.941 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -66.56 -40.73 89.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.847 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -45.71 92.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.827 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 1.5 t -68.02 -41.66 81.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.95 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.88 -46.38 88.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -61.59 -42.37 98.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.739 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.407 ' HA ' ' HG2' ' A' ' 20' ' ' ARG . . . -60.82 -48.62 80.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.975 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.451 ' HA ' HD12 ' A' ' 21' ' ' LEU . . . -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.848 179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.38 -50.04 20.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 ' HG2' ' HA ' ' A' ' 17' ' ' ALA . 1.2 ptt-85 -67.4 -28.78 68.2 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.116 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.451 HD12 ' HA ' ' A' ' 18' ' ' ALA . 9.0 mt -58.49 -31.76 68.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -85.96 171.88 11.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 7.8 p30 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.899 -179.994 . . . . . . . . 0 0 . 1 stop_ save_