data_6mbm_residue ############################ # Computer software used # ############################ 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 6mbm _Structure_validation_residue.Date_analyzed 2019-08-09 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 ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 . . . . . 0 C--O 1.227 -0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.97 -37.17 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.0 109.498 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.7 mp -70.44 -36.18 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -67.94 -21.25 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.11 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -69.05 -39.32 79.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -62.89 -36.61 83.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.258 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -64.97 -37.13 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.136 175.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.505 177.088 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.668 0.271 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mt -73.67 -33.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.371 0.605 . . . . 0.0 109.736 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.588 ' O ' HD11 ' A' ' 11' ' ' ILE . 2.7 mp -69.1 -37.81 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -65.03 -26.85 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.201 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 47.4 tptt -62.6 -43.22 99.36 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.479 0.656 . . . . 0.0 109.482 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 8.8 m-85 -64.42 -33.72 76.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.519 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -69.97 -30.65 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.349 178.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 mttt . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 176.794 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.886 0.374 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.442 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mp -70.41 -35.4 62.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.454 0.645 . . . . 0.0 109.357 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -64.91 -41.41 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 26.2 mmt180 -69.23 -20.92 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.213 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 50.7 tptt -66.97 -38.72 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.371 0.605 . . . . 0.0 109.487 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -66.52 -31.12 71.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.491 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -80.57 -23.69 11.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.828 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 52.6 mtpt . . . . . 0 C--N 1.319 -0.73 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.5 -39.01 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.483 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' HD11 ' A' ' 11' ' ' ILE . 1.8 mp -61.3 -41.27 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 173.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -67.47 -20.4 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.356 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -72.67 -33.99 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.313 0.578 . . . . 0.0 109.695 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -70.5 -28.69 65.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.376 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.517 HD11 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.0 -32.83 34.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.266 174.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.178 171.484 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.445 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mp -69.1 -35.18 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.36 173.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.97 -35.93 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -68.18 -24.05 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.217 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.6 tptt -61.0 -46.04 92.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.306 0.574 . . . . 0.0 109.698 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -60.16 -34.98 74.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.981 -1.008 . . . . 0.0 110.495 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -35.29 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.122 178.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 8.9 mtpm? . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.276 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.551 ' NH2' ' HG3' ' A' ' 8' ' ' ARG . 5.4 mmp_? . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.58 -34.77 36.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.034 0.445 . . . . 0.0 110.597 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.495 ' O ' HD11 ' A' ' 11' ' ' ILE . 2.6 mp -65.43 -41.04 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.551 ' HG3' ' NH2' ' A' ' 5' ' ' ARG . 30.0 mmm180 -65.56 -25.87 67.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.212 175.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -65.46 -40.13 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.632 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -62.64 -41.38 99.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.111 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -64.72 -38.28 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.729 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.4 mttt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.217 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.745 0.307 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -72.78 -38.03 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.36 -41.71 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.1 mmt180 -66.33 -22.55 66.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 175.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.85 -38.45 83.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.33 0.585 . . . . 0.0 109.759 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -66.1 -32.32 73.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.366 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -75.04 -29.24 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.822 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.9 mttt . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.308 171.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.156 0.503 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.68 -38.37 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.457 ' O ' HD11 ' A' ' 11' ' ' ILE . 1.9 mp -65.62 -39.88 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.429 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 27.6 mmt180 -64.02 -23.8 67.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -68.4 -40.63 81.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.472 0.653 . . . . 0.0 109.626 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 11.6 m-30 -61.6 -38.1 86.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.24 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.457 HD11 ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -66.53 -37.28 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.337 177.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.6 mttt . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.133 0.492 . . . . 0.0 110.238 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.2 -36.0 73.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.925 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.92 -41.23 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.27 -22.9 65.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.224 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -69.09 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -66.22 -33.77 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.592 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.21 -36.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.407 -1.269 . . . . 0.0 109.832 177.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.004 172.431 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.904 0.383 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.76 -40.33 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.462 ' O ' HD11 ' A' ' 11' ' ' ILE . 2.2 mp -63.85 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -63.55 -25.62 68.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.477 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -66.14 -40.63 90.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.431 0.634 . . . . 0.0 109.53 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -65.35 -32.9 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.64 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -69.14 -35.0 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.78 175.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 99.0 mttt . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.583 0.23 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.4 m95 60.36 19.4 8.98 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -89.42 -8.91 52.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.519 . . . . 0.0 110.117 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.2 -29.24 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 121.548 0.689 . . . . 0.0 109.689 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -66.91 -18.68 65.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.588 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.502 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -70.97 -37.17 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.0 109.498 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.7 mp -70.44 -36.18 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -67.94 -21.25 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.11 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -69.05 -39.32 79.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -62.89 -36.61 83.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.258 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.602 ' O ' HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -64.97 -37.13 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.136 175.767 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.77 -20.45 65.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.505 177.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.73 -24.87 26.76 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.878 173.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 1.2 t80 -78.95 -50.2 11.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.129 0.49 . . . . 0.0 110.953 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.602 HG12 ' O ' ' A' ' 11' ' ' ILE . 32.0 pt -70.48 -15.56 19.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.724 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.451 -179.035 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.955 0.407 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -144.57 33.11 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.54 -21.51 60.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.107 0.479 . . . . 0.0 110.05 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.63 -27.6 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.036 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -69.43 -18.57 63.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.715 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.467 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mt -73.67 -33.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.371 0.605 . . . . 0.0 109.736 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.588 ' O ' HD11 ' A' ' 11' ' ' ILE . 2.7 mp -69.1 -37.81 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -65.03 -26.85 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.201 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.467 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 47.4 tptt -62.6 -43.22 99.36 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.479 0.656 . . . . 0.0 109.482 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.482 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 8.8 m-85 -64.42 -33.72 76.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.519 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.588 HD11 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -69.97 -30.65 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.349 178.294 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -58.21 -35.9 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.01 -37.32 8.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.605 174.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.564 ' CB ' ' HA ' ' A' ' 11' ' ' ILE . 6.1 t80 -47.61 -51.29 21.76 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.208 1.003 . . . . 0.0 113.142 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.2 pt -67.97 -18.78 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.074 -178.045 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.578 0.228 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -134.56 23.32 3.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.599 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -70.03 -9.84 56.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -66.68 -30.35 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-O 121.36 0.6 . . . . 0.0 109.686 172.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -69.63 -17.8 63.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.151 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.599 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -70.41 -35.4 62.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.454 0.645 . . . . 0.0 109.357 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.533 ' O ' HD12 ' A' ' 11' ' ' ILE . 1.9 mp -64.91 -41.41 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 26.2 mmt180 -69.23 -20.92 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.213 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 50.7 tptt -66.97 -38.72 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.371 0.605 . . . . 0.0 109.487 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -66.52 -31.12 71.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.491 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -80.57 -23.69 11.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.828 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 52.6 mtpt -76.0 -15.14 60.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.616 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.27 -21.43 38.31 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.581 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.404 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -50.38 -70.34 0.09 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.736 0.414 . . . . 0.0 111.146 174.764 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 pt 47.53 -170.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.704 1.202 . . . . 0.0 112.588 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.057 -179.665 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 121.102 0.477 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -76.9 -36.76 56.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.101 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.649 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -71.43 -10.26 59.49 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.0 t -72.1 -28.04 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 121.518 0.675 . . . . 0.0 109.508 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -72.35 -22.36 61.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.146 175.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.649 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -68.5 -39.01 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.483 176.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' O ' HD11 ' A' ' 11' ' ' ILE . 1.8 mp -61.3 -41.27 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 173.062 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -67.47 -20.4 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.356 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -72.67 -33.99 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.313 0.578 . . . . 0.0 109.695 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -70.5 -28.69 65.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.376 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.521 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 mp -74.0 -32.83 34.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.266 174.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -74.13 -11.25 60.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.178 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.86 -41.35 12.69 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.743 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 23.5 m-85 -61.62 -62.53 1.75 Allowed 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.39 0.614 . . . . 0.0 109.85 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 pt -105.06 94.17 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.18 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.299 178.649 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -79.71 -26.08 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.581 0.229 . . . . 0.0 111.298 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.654 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -76.92 -9.59 58.79 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 t -69.07 -31.27 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-O 121.66 0.743 . . . . 0.0 109.482 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -72.04 -18.01 61.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.804 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.654 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -69.1 -35.18 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.36 173.546 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.4 mp -67.97 -35.93 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.474 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -68.18 -24.05 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.217 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.6 tptt -61.0 -46.04 92.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.306 0.574 . . . . 0.0 109.698 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -60.16 -34.98 74.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.981 -1.008 . . . . 0.0 110.495 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.623 ' O ' HG12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -68.79 -35.29 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.122 178.518 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 8.9 mtpm? -62.08 -28.9 69.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.276 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.39 -28.45 17.05 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.316 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.458 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 2.2 t80 -70.81 -49.96 40.81 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.955 0.407 . . . . 0.0 110.753 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.623 HG12 ' O ' ' A' ' 11' ' ' ILE . 24.2 pt -74.77 157.14 6.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.806 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.217 178.036 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -81.05 -17.54 49.8 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.901 -0.499 . . . . 0.0 111.319 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.798 0.332 . . . . 0.0 111.052 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.89 -30.79 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 109.925 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.551 ' NH2' ' HG3' ' A' ' 8' ' ' ARG . 5.4 mmp_? -61.51 -26.48 67.95 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.574 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.58 -34.77 36.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.034 0.445 . . . . 0.0 110.597 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.495 ' O ' HD11 ' A' ' 11' ' ' ILE . 2.6 mp -65.43 -41.04 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.551 ' HG3' ' NH2' ' A' ' 5' ' ' ARG . 30.0 mmm180 -65.56 -25.87 67.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.212 175.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.6 tptp -65.46 -40.13 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.632 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -62.64 -41.38 99.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.111 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.648 ' O ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -64.72 -38.28 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.729 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.4 mttt -62.41 -27.69 69.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.217 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.67 -28.81 13.18 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.668 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 3.5 t80 -75.95 -51.87 11.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.789 0.328 . . . . 0.0 111.608 -174.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.648 HG12 ' O ' ' A' ' 11' ' ' ILE . 37.8 pt -81.06 -8.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.673 -0.68 . . . . 0.0 110.575 -178.363 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 56.65 40.86 29.09 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.665 0.603 . . . . 0.0 111.449 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -74.22 -13.04 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.54 -32.52 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.45 -18.24 64.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.555 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -72.78 -38.03 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.36 -41.71 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.475 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.1 mmt180 -66.33 -22.55 66.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 175.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 49.4 tptt -67.85 -38.45 83.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.33 0.585 . . . . 0.0 109.759 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -66.1 -32.32 73.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.366 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.522 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -75.04 -29.24 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.822 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.9 mttt -71.38 -9.37 58.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.308 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.32 -34.78 9.23 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.278 171.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' A' ' 11' ' ' ILE . 23.3 m-85 -69.11 -64.7 0.82 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.899 0.35 . . . . 0.0 110.488 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 HG22 ' HA ' ' A' ' 12' ' ' LYS . 17.3 pt 38.87 55.71 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.409 1.068 . . . . 0.0 112.49 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.81 179.62 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.2 mmtp . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.595 0.236 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -70.05 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.621 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -73.35 -8.66 56.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.33 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.434 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 69.4 t -67.74 -26.14 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.07 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.57 -18.77 64.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.908 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.621 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -76.68 -38.37 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.457 ' O ' HD11 ' A' ' 11' ' ' ILE . 1.9 mp -65.62 -39.88 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.068 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.434 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 27.6 mmt180 -64.02 -23.8 67.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -68.4 -40.63 81.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.472 0.653 . . . . 0.0 109.626 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.441 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 11.6 m-30 -61.6 -38.1 86.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.24 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.638 ' O ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -66.53 -37.28 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.337 177.685 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.6 mttt -65.15 -24.43 67.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.133 0.492 . . . . 0.0 110.238 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.64 -33.19 16.82 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.698 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.17 -56.59 4.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.731 0.3 . . . . 0.0 111.36 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.638 HG12 ' O ' ' A' ' 11' ' ' ILE . 34.2 pt -75.49 152.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.826 0.346 . . . . 0.0 110.394 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.883 179.534 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -68.84 -19.84 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.691 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -67.64 -11.26 57.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.55 -30.55 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 121.563 0.697 . . . . 0.0 109.677 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -71.31 -17.77 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.212 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.691 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -68.2 -36.0 73.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.925 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.49 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.92 -41.23 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.27 -22.9 65.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.224 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -69.09 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -66.22 -33.77 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.592 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 mp -74.21 -36.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.407 -1.269 . . . . 0.0 109.832 177.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.4 -13.44 61.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.004 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.52 -37.75 13.66 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.371 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.573 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 19.9 m-85 -59.58 -65.24 0.71 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.069 0.461 . . . . 0.0 110.699 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 11' ' ' ILE . 27.2 pt -59.67 116.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.26 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.409 -179.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -85.5 -10.27 56.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.591 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.637 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -70.55 -10.35 59.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.15 -36.26 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 121.069 0.461 . . . . 0.0 109.871 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.73 -18.52 65.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.637 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -73.76 -40.33 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.462 ' O ' HD11 ' A' ' 11' ' ' ILE . 2.2 mp -63.85 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -63.55 -25.62 68.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.477 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -66.14 -40.63 90.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.431 0.634 . . . . 0.0 109.53 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -65.35 -32.9 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.64 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD11 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -69.14 -35.0 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.78 175.568 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 99.0 mttt -71.59 -16.26 62.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 177.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.15 -32.51 8.83 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 171.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CE2' HG21 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -72.32 -54.72 8.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 122.767 0.427 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.498 HG21 ' CE2' ' A' ' 14' ' ' PHE . 33.1 pt -105.7 174.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.914 177.229 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 . . . . . 0 C--O 1.227 -0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.97 -37.17 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.0 109.498 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.7 mp -70.44 -36.18 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -67.94 -21.25 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.11 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 18.6 tptm -69.05 -39.32 79.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -62.89 -36.61 83.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.258 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -64.97 -37.13 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.136 175.767 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 9' ' ' LYS . 98.2 mttt . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.505 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.668 0.271 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mt -73.67 -33.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.371 0.605 . . . . 0.0 109.736 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.7 mp -69.1 -37.81 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -65.03 -26.85 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.201 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 47.4 tptt -62.6 -43.22 99.36 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.479 0.656 . . . . 0.0 109.482 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 8.8 m-85 -64.42 -33.72 76.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.519 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -69.97 -30.65 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.349 178.294 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 mttt . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 176.794 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.886 0.374 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mp -70.41 -35.4 62.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.454 0.645 . . . . 0.0 109.357 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.58 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -64.91 -41.41 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 26.2 mmt180 -69.23 -20.92 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.213 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 50.7 tptt -66.97 -38.72 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.371 0.605 . . . . 0.0 109.487 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -66.52 -31.12 71.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.491 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -80.57 -23.69 11.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.828 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 52.6 mtpt . . . . . 0 C--N 1.319 -0.73 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.5 -39.01 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.483 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.8 mp -61.3 -41.27 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 173.062 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -67.47 -20.4 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.356 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 18.9 tptm -72.67 -33.99 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.313 0.578 . . . . 0.0 109.695 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -70.5 -28.69 65.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.376 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.0 -32.83 34.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.266 174.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.178 171.484 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mp -69.1 -35.18 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.36 173.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.4 mp -67.97 -35.93 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -68.18 -24.05 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.217 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.6 tptt -61.0 -46.04 92.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.306 0.574 . . . . 0.0 109.698 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -60.16 -34.98 74.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.981 -1.008 . . . . 0.0 110.495 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.403 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -68.79 -35.29 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.122 178.518 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 8.9 mtpm? . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.276 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.561 ' NH2' ' HG3' ' A' ' 8' ' ' ARG . 5.4 mmp_? . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.58 -34.77 36.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.034 0.445 . . . . 0.0 110.597 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.6 mp -65.43 -41.04 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG3' ' NH2' ' A' ' 5' ' ' ARG . 30.0 mmm180 -65.56 -25.87 67.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.212 175.706 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 23.6 tptp -65.46 -40.13 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.632 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -62.64 -41.38 99.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.111 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -64.72 -38.28 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.729 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.4 mttt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.217 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.745 0.307 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -72.78 -38.03 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.36 -41.71 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.1 mmt180 -66.33 -22.55 66.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 175.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.4 tptt -67.85 -38.45 83.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.33 0.585 . . . . 0.0 109.759 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -66.1 -32.32 73.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.366 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -75.04 -29.24 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.822 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.9 mttt . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.308 171.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.156 0.503 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.68 -38.37 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -65.62 -39.88 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.068 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 27.6 mmt180 -64.02 -23.8 67.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -68.4 -40.63 81.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.472 0.653 . . . . 0.0 109.626 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 11.6 m-30 -61.6 -38.1 86.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.24 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -66.53 -37.28 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.337 177.685 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.6 mttt . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.133 0.492 . . . . 0.0 110.238 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.2 -36.0 73.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.925 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.92 -41.23 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.27 -22.9 65.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.224 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -69.09 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -66.22 -33.77 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.592 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.21 -36.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.407 -1.269 . . . . 0.0 109.832 177.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.004 172.431 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.904 0.383 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.76 -40.33 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.2 mp -63.85 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -63.55 -25.62 68.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.477 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -66.14 -40.63 90.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.431 0.634 . . . . 0.0 109.53 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -65.35 -32.9 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.64 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -69.14 -35.0 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.78 175.568 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 99.0 mttt . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.583 0.23 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.4 m95 60.36 19.4 8.98 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' HA ' HD13 ' A' ' 6' ' ' ILE . . . -89.42 -8.91 52.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.519 . . . . 0.0 110.117 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.2 -29.24 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 121.548 0.689 . . . . 0.0 109.689 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -66.91 -18.68 65.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.588 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 3' ' ' ALA . 1.1 mp -70.97 -37.17 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.0 109.498 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.7 mp -70.44 -36.18 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -67.94 -21.25 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.11 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 18.6 tptm -69.05 -39.32 79.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -62.89 -36.61 83.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.258 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -64.97 -37.13 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.136 175.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 9' ' ' LYS . 98.2 mttt -66.77 -20.45 65.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.505 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.73 -24.87 26.76 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.878 173.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 1.2 t80 -78.95 -50.2 11.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.129 0.49 . . . . 0.0 110.953 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 11' ' ' ILE . 32.0 pt -70.48 -15.56 19.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.724 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.451 -179.035 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.955 0.407 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -144.57 33.11 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.54 -21.51 60.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.107 0.479 . . . . 0.0 110.05 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.63 -27.6 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.036 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -69.43 -18.57 63.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.715 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mt -73.67 -33.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.371 0.605 . . . . 0.0 109.736 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.7 mp -69.1 -37.81 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -65.03 -26.85 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.201 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 47.4 tptt -62.6 -43.22 99.36 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.479 0.656 . . . . 0.0 109.482 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 8.8 m-85 -64.42 -33.72 76.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.519 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -69.97 -30.65 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.349 178.294 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -58.21 -35.9 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.01 -37.32 8.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.605 174.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CB ' ' HA ' ' A' ' 11' ' ' ILE . 6.1 t80 -47.61 -51.29 21.76 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.208 1.003 . . . . 0.0 113.142 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.2 pt -67.97 -18.78 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.074 -178.045 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.578 0.228 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -134.56 23.32 3.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -70.03 -9.84 56.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -66.68 -30.35 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-O 121.36 0.6 . . . . 0.0 109.686 172.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -69.63 -17.8 63.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.151 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -70.41 -35.4 62.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.454 0.645 . . . . 0.0 109.357 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.58 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -64.91 -41.41 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 26.2 mmt180 -69.23 -20.92 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.213 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 50.7 tptt -66.97 -38.72 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.371 0.605 . . . . 0.0 109.487 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -66.52 -31.12 71.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.491 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -80.57 -23.69 11.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.828 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 52.6 mtpt -76.0 -15.14 60.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.616 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.27 -21.43 38.31 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.581 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -50.38 -70.34 0.09 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.736 0.414 . . . . 0.0 111.146 174.764 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 pt 47.53 -170.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.704 1.202 . . . . 0.0 112.588 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.057 -179.665 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 121.102 0.477 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -76.9 -36.76 56.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.101 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -71.43 -10.26 59.49 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.0 t -72.1 -28.04 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 121.518 0.675 . . . . 0.0 109.508 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -72.35 -22.36 61.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.146 175.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.668 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -68.5 -39.01 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.483 176.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.8 mp -61.3 -41.27 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 173.062 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -67.47 -20.4 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.356 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 18.9 tptm -72.67 -33.99 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.313 0.578 . . . . 0.0 109.695 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -70.5 -28.69 65.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.376 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.0 -32.83 34.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.266 174.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -74.13 -11.25 60.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.178 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.86 -41.35 12.69 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.743 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 23.5 m-85 -61.62 -62.53 1.75 Allowed 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.39 0.614 . . . . 0.0 109.85 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 pt -105.06 94.17 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.18 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.299 178.649 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -79.71 -26.08 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.581 0.229 . . . . 0.0 111.298 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.674 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -76.92 -9.59 58.79 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 t -69.07 -31.27 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-O 121.66 0.743 . . . . 0.0 109.482 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -72.04 -18.01 61.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.804 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.674 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -69.1 -35.18 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.36 173.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.4 mp -67.97 -35.93 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -68.18 -24.05 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.217 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.6 tptt -61.0 -46.04 92.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.306 0.574 . . . . 0.0 109.698 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -60.16 -34.98 74.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.981 -1.008 . . . . 0.0 110.495 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' O ' HG12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -68.79 -35.29 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.122 178.518 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 8.9 mtpm? -62.08 -28.9 69.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.276 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.39 -28.45 17.05 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.316 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 2.2 t80 -70.81 -49.96 40.81 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.955 0.407 . . . . 0.0 110.753 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 11' ' ' ILE . 24.2 pt -74.77 157.14 6.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.806 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.217 178.036 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -81.05 -17.54 49.8 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.901 -0.499 . . . . 0.0 111.319 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.798 0.332 . . . . 0.0 111.052 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.89 -30.79 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 109.925 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.561 ' NH2' ' HG3' ' A' ' 8' ' ' ARG . 5.4 mmp_? -61.51 -26.48 67.95 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.574 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.58 -34.77 36.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.034 0.445 . . . . 0.0 110.597 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.6 mp -65.43 -41.04 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG3' ' NH2' ' A' ' 5' ' ' ARG . 30.0 mmm180 -65.56 -25.87 67.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.212 175.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 23.6 tptp -65.46 -40.13 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.632 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -62.64 -41.38 99.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.111 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.661 ' O ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -64.72 -38.28 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.729 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.4 mttt -62.41 -27.69 69.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.217 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.67 -28.81 13.18 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.668 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 3.5 t80 -75.95 -51.87 11.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.789 0.328 . . . . 0.0 111.608 -174.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 11' ' ' ILE . 37.8 pt -81.06 -8.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.673 -0.68 . . . . 0.0 110.575 -178.363 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 56.65 40.86 29.09 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.665 0.603 . . . . 0.0 111.449 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.644 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -74.22 -13.04 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.54 -32.52 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.45 -18.24 64.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.555 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -72.78 -38.03 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.36 -41.71 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.1 mmt180 -66.33 -22.55 66.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 175.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.4 tptt -67.85 -38.45 83.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.33 0.585 . . . . 0.0 109.759 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -66.1 -32.32 73.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.366 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -75.04 -29.24 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.822 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.9 mttt -71.38 -9.37 58.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.308 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.32 -34.78 9.23 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.278 171.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 11' ' ' ILE . 23.3 m-85 -69.11 -64.7 0.82 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.899 0.35 . . . . 0.0 110.488 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 ' HA ' ' A' ' 12' ' ' LYS . 17.3 pt 38.87 55.71 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.409 1.068 . . . . 0.0 112.49 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.81 179.62 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 35.2 mmtp . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.595 0.236 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -70.05 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.645 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -73.35 -8.66 56.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.33 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 69.4 t -67.74 -26.14 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.07 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.57 -18.77 64.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.908 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -76.68 -38.37 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -65.62 -39.88 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.068 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 27.6 mmt180 -64.02 -23.8 67.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -68.4 -40.63 81.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.472 0.653 . . . . 0.0 109.626 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 11.6 m-30 -61.6 -38.1 86.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.24 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' O ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -66.53 -37.28 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.337 177.685 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.6 mttt -65.15 -24.43 67.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.133 0.492 . . . . 0.0 110.238 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.64 -33.19 16.82 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.698 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.17 -56.59 4.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.731 0.3 . . . . 0.0 111.36 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 11' ' ' ILE . 34.2 pt -75.49 152.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.826 0.346 . . . . 0.0 110.394 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.883 179.534 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -68.84 -19.84 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.704 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -67.64 -11.26 57.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.55 -30.55 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 121.563 0.697 . . . . 0.0 109.677 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -71.31 -17.77 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.212 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.704 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -68.2 -36.0 73.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.925 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.92 -41.23 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.27 -22.9 65.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.224 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -69.09 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -66.22 -33.77 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.592 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 mp -74.21 -36.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.407 -1.269 . . . . 0.0 109.832 177.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.4 -13.44 61.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.004 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.52 -37.75 13.66 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.371 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 19.9 m-85 -59.58 -65.24 0.71 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.069 0.461 . . . . 0.0 110.699 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 11' ' ' ILE . 27.2 pt -59.67 116.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.26 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.409 -179.705 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -85.5 -10.27 56.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.591 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.661 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -70.55 -10.35 59.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.15 -36.26 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 121.069 0.461 . . . . 0.0 109.871 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.73 -18.52 65.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.661 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -73.76 -40.33 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.2 mp -63.85 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -63.55 -25.62 68.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.477 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -66.14 -40.63 90.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.431 0.634 . . . . 0.0 109.53 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -65.35 -32.9 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.64 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -69.14 -35.0 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.78 175.568 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 99.0 mttt -71.59 -16.26 62.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 177.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.15 -32.51 8.83 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 171.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -72.32 -54.72 8.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 122.767 0.427 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' CE2' ' A' ' 14' ' ' PHE . 33.1 pt -105.7 174.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.914 177.229 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 . . . . . 0 C--O 1.227 -0.118 0 CA-C-O 120.845 0.355 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -70.97 -37.17 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.0 109.498 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.7 mp -70.44 -36.18 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -67.94 -21.25 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.11 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 18.6 tptm -69.05 -39.32 79.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -62.89 -36.61 83.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.258 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.408 ' HA ' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -64.97 -37.13 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.136 175.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 9' ' ' LYS . 98.2 mttt . . . . . 0 C--N 1.32 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.505 177.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 . . . . . 0 N--CA 1.457 -0.113 0 CA-C-O 120.668 0.271 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mt -73.67 -33.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.371 0.605 . . . . 0.0 109.736 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.605 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.7 mp -69.1 -37.81 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -65.03 -26.85 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.201 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 47.4 tptt -62.6 -43.22 99.36 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.479 0.656 . . . . 0.0 109.482 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 8.8 m-85 -64.42 -33.72 76.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.519 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -69.97 -30.65 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.349 178.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 mttt . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 176.794 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 . . . . . 0 C--O 1.225 -0.208 0 CA-C-O 120.886 0.374 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mp -70.41 -35.4 62.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.454 0.645 . . . . 0.0 109.357 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.58 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -64.91 -41.41 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 26.2 mmt180 -69.23 -20.92 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.213 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 50.7 tptt -66.97 -38.72 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.371 0.605 . . . . 0.0 109.487 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -66.52 -31.12 71.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.491 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -80.57 -23.69 11.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.828 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 52.6 mtpt . . . . . 0 C--N 1.319 -0.73 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 . . . . . 0 N--CA 1.457 -0.096 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.5 -39.01 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.483 176.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.8 mp -61.3 -41.27 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 173.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -67.47 -20.4 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.356 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 18.9 tptm -72.67 -33.99 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.313 0.578 . . . . 0.0 109.695 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -70.5 -28.69 65.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.376 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.0 -32.83 34.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.266 174.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mttp . . . . . 0 C--N 1.321 -0.661 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.178 171.484 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 . . . . . 0 C--O 1.223 -0.309 0 CA-C-O 121.072 0.463 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mp -69.1 -35.18 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.36 173.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.4 mp -67.97 -35.93 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -68.18 -24.05 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.217 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.6 tptt -61.0 -46.04 92.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.306 0.574 . . . . 0.0 109.698 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -60.16 -34.98 74.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.981 -1.008 . . . . 0.0 110.495 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.403 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.7 OUTLIER -68.79 -35.29 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.122 178.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 8.9 mtpm? . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.276 178.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.561 ' NH2' ' HG3' ' A' ' 8' ' ' ARG . 5.4 mmp_? . . . . . 0 CA--C 1.53 0.175 0 CA-C-O 120.711 0.291 . . . . 0.0 110.574 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.58 -34.77 36.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.034 0.445 . . . . 0.0 110.597 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.6 mp -65.43 -41.04 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG3' ' NH2' ' A' ' 5' ' ' ARG . 30.0 mmm180 -65.56 -25.87 67.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.212 175.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 23.6 tptp -65.46 -40.13 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.632 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -62.64 -41.38 99.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.111 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.52 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -64.72 -38.28 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.729 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.4 mttt . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.217 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 . . . . . 0 C--O 1.228 -0.057 0 CA-C-O 120.745 0.307 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.416 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -72.78 -38.03 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.36 -41.71 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.1 mmt180 -66.33 -22.55 66.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 175.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.4 tptt -67.85 -38.45 83.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.33 0.585 . . . . 0.0 109.759 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -66.1 -32.32 73.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.366 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -75.04 -29.24 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.822 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.9 mttt . . . . . 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.308 171.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 121.156 0.503 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -76.68 -38.37 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -65.62 -39.88 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.427 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 27.6 mmt180 -64.02 -23.8 67.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -68.4 -40.63 81.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.472 0.653 . . . . 0.0 109.626 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 11.6 m-30 -61.6 -38.1 86.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.24 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.485 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.0 OUTLIER -66.53 -37.28 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.337 177.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.6 mttt . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 121.133 0.492 . . . . 0.0 110.238 177.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 . . . . . 0 N--CA 1.456 -0.143 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -68.2 -36.0 73.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.925 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.92 -41.23 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.27 -22.9 65.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.224 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -69.09 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -66.22 -33.77 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.592 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.532 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.21 -36.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.407 -1.269 . . . . 0.0 109.832 177.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.004 172.431 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 . . . . . 0 N--CA 1.461 0.081 0 CA-C-O 120.904 0.383 . . . . 0.0 110.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mp -73.76 -40.33 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.2 mp -63.85 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -63.55 -25.62 68.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.477 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -66.14 -40.63 90.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.431 0.634 . . . . 0.0 109.53 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -65.35 -32.9 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.64 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -69.14 -35.0 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.78 175.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 99.0 mttt . . . . . 0 C--N 1.32 -0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 177.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 96.8 mttt . . . . . 0 N--CA 1.479 1.005 0 CA-C-O 120.583 0.23 . . . . 0.0 110.449 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 93.4 m95 60.36 19.4 8.98 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 173.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.541 ' HA ' HD13 ' A' ' 6' ' ' ILE . . . -89.42 -8.91 52.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.191 0.519 . . . . 0.0 110.117 175.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.2 t -64.2 -29.24 46.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 CA-C-O 121.548 0.689 . . . . 0.0 109.689 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 -66.91 -18.68 65.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.588 178.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.541 HD13 ' HA ' ' A' ' 3' ' ' ALA . 1.1 mp -70.97 -37.17 66.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.316 0.579 . . . . 0.0 109.498 177.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 2.7 mp -70.44 -36.18 65.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 175.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 31.5 mmm180 -67.94 -21.25 65.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.11 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 12' ' ' LYS . 18.6 tptm -69.05 -39.32 79.22 Favored 'General case' 0 CA--C 1.515 -0.383 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 176.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.3 m-30 -62.89 -36.61 83.89 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.258 174.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.604 ' O ' HG12 ' A' ' 15' ' ' ILE . 0.6 OUTLIER -64.97 -37.13 79.47 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 CA-C-N 115.101 -0.954 . . . . 0.0 110.136 175.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HD2' ' HD2' ' A' ' 9' ' ' LYS . 98.2 mttt -66.77 -20.45 65.95 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.505 177.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.73 -24.87 26.76 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 121.016 -0.611 . . . . 0.0 111.878 173.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.471 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 1.2 t80 -78.95 -50.2 11.54 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.129 0.49 . . . . 0.0 110.953 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.604 HG12 ' O ' ' A' ' 11' ' ' ILE . 32.0 pt -70.48 -15.56 19.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.724 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.246 0.869 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.451 -179.035 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.955 0.407 . . . . 0.0 110.592 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 2.2 m-90 -144.57 33.11 1.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.183 179.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.54 -21.51 60.36 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.107 0.479 . . . . 0.0 110.05 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.2 t -61.63 -27.6 42.43 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.036 174.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -69.43 -18.57 63.75 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.715 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 9' ' ' LYS . 1.1 mt -73.67 -33.41 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.371 0.605 . . . . 0.0 109.736 175.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.605 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.7 mp -69.1 -37.81 77.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 172.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 16.6 mmp_? -65.03 -26.85 68.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.201 173.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 47.4 tptt -62.6 -43.22 99.36 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.479 0.656 . . . . 0.0 109.482 175.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 8.8 m-85 -64.42 -33.72 76.51 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.519 176.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.605 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -69.97 -30.65 44.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.349 178.294 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -58.21 -35.9 72.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.616 176.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.01 -37.32 8.46 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.605 174.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.57 ' CB ' ' HA ' ' A' ' 11' ' ' ILE . 6.1 t80 -47.61 -51.29 21.76 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.208 1.003 . . . . 0.0 113.142 176.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 36.2 pt -67.97 -18.78 24.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 112.918 0.711 . . . . 0.0 112.918 -176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.4 m . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.253 -0.879 . . . . 0.0 111.074 -178.045 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.578 0.228 . . . . 0.0 110.559 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.7 p-90 -134.56 23.32 3.69 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.62 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -70.03 -9.84 56.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.795 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -66.68 -30.35 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 CA-C-O 121.36 0.6 . . . . 0.0 109.686 172.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -69.63 -17.8 63.54 Favored 'General case' 0 C--O 1.225 -0.208 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.151 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -70.41 -35.4 62.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.454 0.645 . . . . 0.0 109.357 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.58 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -64.91 -41.41 92.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 172.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.465 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 26.2 mmt180 -69.23 -20.92 63.96 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.213 176.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 50.7 tptt -66.97 -38.72 86.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.371 0.605 . . . . 0.0 109.487 174.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 -66.52 -31.12 71.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.158 -0.928 . . . . 0.0 109.491 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.58 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -80.57 -23.69 11.2 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 114.832 -1.077 . . . . 0.0 109.828 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 52.6 mtpt -76.0 -15.14 60.2 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 170.616 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.27 -21.43 38.31 Favored Glycine 0 N--CA 1.444 -0.831 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.581 171.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.415 ' HB2' ' HA ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -50.38 -70.34 0.09 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 122.736 0.414 . . . . 0.0 111.146 174.764 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.0 pt 47.53 -170.14 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 124.704 1.202 . . . . 0.0 112.588 -178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.433 -0.794 . . . . 0.0 110.057 -179.665 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 97.1 mttt . . . . . 0 N--CA 1.478 0.959 0 CA-C-O 121.102 0.477 . . . . 0.0 109.997 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -76.9 -36.76 56.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.101 -172.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.668 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -71.43 -10.26 59.49 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.977 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 76.0 t -72.1 -28.04 28.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.763 0 CA-C-O 121.518 0.675 . . . . 0.0 109.508 175.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.8 tpt180 -72.35 -22.36 61.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.146 175.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.668 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -68.5 -39.01 80.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.483 176.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.557 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.8 mp -61.3 -41.27 89.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 N-CA-C 109.392 -0.596 . . . . 0.0 109.392 173.062 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -67.47 -20.4 65.47 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.356 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 9' ' ' LYS . 18.9 tptm -72.67 -33.99 66.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.313 0.578 . . . . 0.0 109.695 177.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -70.5 -28.69 65.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.376 176.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.557 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -74.0 -32.83 34.45 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 114.643 -1.162 . . . . 0.0 109.266 174.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -74.13 -11.25 60.25 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.178 171.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.86 -41.35 12.69 Favored Glycine 0 N--CA 1.443 -0.882 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.743 169.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 23.5 m-85 -61.62 -62.53 1.75 Allowed 'General case' 0 N--CA 1.437 -1.084 0 CA-C-O 121.39 0.614 . . . . 0.0 109.85 172.132 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.7 pt -105.06 94.17 2.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.18 177.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.1 m . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.479 -0.772 . . . . 0.0 110.299 178.649 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.2 mtmm . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.78 0.324 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -79.71 -26.08 40.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.581 0.229 . . . . 0.0 111.298 -176.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.674 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -76.92 -9.59 58.79 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.843 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 t -69.07 -31.27 49.57 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.72 0 CA-C-O 121.66 0.743 . . . . 0.0 109.482 175.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 21.1 mmt180 -72.04 -18.01 61.98 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.804 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.674 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -69.1 -35.18 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.36 173.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.403 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.4 mp -67.97 -35.93 73.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 172.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.483 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -68.18 -24.05 64.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.217 174.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.6 tptt -61.0 -46.04 92.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.306 0.574 . . . . 0.0 109.698 176.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 87.6 m-85 -60.16 -34.98 74.33 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.981 -1.008 . . . . 0.0 110.495 174.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.633 ' O ' HG12 ' A' ' 15' ' ' ILE . 0.7 OUTLIER -68.79 -35.29 68.96 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.481 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.122 178.518 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 8.9 mtpm? -62.08 -28.9 69.94 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.276 178.514 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.39 -28.45 17.05 Favored Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.316 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.47 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 2.2 t80 -70.81 -49.96 40.81 Favored 'General case' 0 N--CA 1.443 -0.802 0 CA-C-O 120.955 0.407 . . . . 0.0 110.753 -179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.633 HG12 ' O ' ' A' ' 11' ' ' ILE . 24.2 pt -74.77 157.14 6.14 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.806 176.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.5 m . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.639 -0.696 . . . . 0.0 110.217 178.036 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 111.786 0.291 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 64.2 p-90 -81.05 -17.54 49.8 Favored 'General case' 0 C--N 1.332 -0.191 0 O-C-N 121.901 -0.499 . . . . 0.0 111.319 -177.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.42 -14.8 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.798 0.332 . . . . 0.0 111.052 -178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -62.89 -30.79 50.37 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 CA-C-O 121.127 0.489 . . . . 0.0 109.925 175.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.561 ' NH2' ' HG3' ' A' ' 8' ' ' ARG . 5.4 mmp_? -61.51 -26.48 67.95 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.574 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 1.1 mt -74.58 -34.77 36.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 121.034 0.445 . . . . 0.0 110.597 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.52 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.6 mp -65.43 -41.04 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 173.121 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.561 ' HG3' ' NH2' ' A' ' 5' ' ' ARG . 30.0 mmm180 -65.56 -25.87 67.62 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.212 175.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 9' ' ' LYS . 23.6 tptp -65.46 -40.13 92.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.632 176.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 13.1 m-30 -62.64 -41.38 99.01 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.086 -0.961 . . . . 0.0 109.111 175.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.661 ' O ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -64.72 -38.28 82.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.729 179.633 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.4 mttt -62.41 -27.69 69.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.217 178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.67 -28.81 13.18 Favored Glycine 0 N--CA 1.445 -0.73 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.668 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.441 ' HB3' ' HA ' ' A' ' 11' ' ' ILE . 3.5 t80 -75.95 -51.87 11.48 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 120.789 0.328 . . . . 0.0 111.608 -174.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.661 HG12 ' O ' ' A' ' 11' ' ' ILE . 37.8 pt -81.06 -8.8 11.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.711 179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 35.7 m . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.673 -0.68 . . . . 0.0 110.575 -178.363 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 61.7 mttp . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 110.482 -0.192 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 4.9 m-90 56.65 40.86 29.09 Favored 'General case' 0 N--CA 1.464 0.252 0 O-C-N 123.665 0.603 . . . . 0.0 111.449 177.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.644 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -74.22 -13.04 60.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.949 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.1 t -66.54 -32.52 58.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 173.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -68.45 -18.24 64.37 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.428 -0.805 . . . . 0.0 110.555 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.644 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.0 OUTLIER -72.78 -38.03 56.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 176.601 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.36 -41.71 93.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 172.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.472 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.1 mmt180 -66.33 -22.55 66.28 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.465 175.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' HB3' ' O ' ' A' ' 6' ' ' ILE . 49.4 tptt -67.85 -38.45 83.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.33 0.585 . . . . 0.0 109.759 176.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 16.1 m-30 -66.1 -32.32 73.7 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.366 176.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 7' ' ' ILE . 1.1 mp -75.04 -29.24 21.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.498 -1.228 . . . . 0.0 109.822 177.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.9 mttt -71.38 -9.37 58.05 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.308 171.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.32 -34.78 9.23 Favored Glycine 0 N--CA 1.444 -0.816 0 CA-C-N 115.153 -0.93 . . . . 0.0 111.278 171.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.5 ' CD1' ' HA ' ' A' ' 11' ' ' ILE . 23.3 m-85 -69.11 -64.7 0.82 Allowed 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 116.899 0.35 . . . . 0.0 110.488 173.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.46 HG23 ' HA ' ' A' ' 12' ' ' LYS . 17.3 pt 38.87 55.71 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 O-C-N 124.409 1.068 . . . . 0.0 112.49 -178.451 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.81 179.62 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.401 ' O ' ' HB ' ' A' ' 4' ' ' VAL . 35.2 mmtp . . . . . 0 N--CA 1.477 0.878 0 CA-C-O 120.595 0.236 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 12.3 m0 -70.05 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.711 0.291 . . . . 0.0 110.706 178.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.645 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -73.35 -8.66 56.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.794 0.33 . . . . 0.0 111.007 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.445 ' O ' ' HG2' ' A' ' 8' ' ' ARG . 69.4 t -67.74 -26.14 34.4 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 174.07 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -68.57 -18.77 64.4 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.908 174.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.645 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -76.68 -38.37 30.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.485 ' O ' HD13 ' A' ' 11' ' ' ILE . 1.9 mp -65.62 -39.88 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 173.068 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.445 ' HG2' ' O ' ' A' ' 4' ' ' VAL . 27.6 mmt180 -64.02 -23.8 67.47 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.29 174.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 tptt -68.4 -40.63 81.24 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.472 0.653 . . . . 0.0 109.626 177.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 7' ' ' ILE . 11.6 m-30 -61.6 -38.1 86.35 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 114.842 -1.072 . . . . 0.0 109.24 175.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.652 ' O ' HG12 ' A' ' 15' ' ' ILE . 1.0 OUTLIER -66.53 -37.28 79.25 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.513 0 CA-C-N 114.811 -1.086 . . . . 0.0 110.337 177.685 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 98.6 mttt -65.15 -24.43 67.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.133 0.492 . . . . 0.0 110.238 177.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.64 -33.19 16.82 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.698 173.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -75.17 -56.59 4.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.731 0.3 . . . . 0.0 111.36 -177.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.652 HG12 ' O ' ' A' ' 11' ' ' ILE . 34.2 pt -75.49 152.79 6.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.826 0.346 . . . . 0.0 110.394 177.17 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 42.7 m . . . . . 0 C--O 1.249 1.029 0 CA-C-O 118.587 -0.721 . . . . 0.0 109.883 179.534 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 110.0 -0.371 . . . . 0.0 110.0 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -68.84 -19.84 64.27 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.898 -176.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.704 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -67.64 -11.26 57.82 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 111.697 0.258 . . . . 0.0 111.697 179.201 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 85.3 t -69.55 -30.55 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 121.563 0.697 . . . . 0.0 109.677 174.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -71.31 -17.77 62.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.212 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.704 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -68.2 -36.0 73.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.332 -0.849 . . . . 0.0 109.925 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.0 mp -64.92 -41.23 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 109.122 -0.695 . . . . 0.0 109.122 173.26 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -67.27 -22.9 65.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.224 175.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 47.9 tptt -69.09 -35.39 76.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.865 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -66.22 -33.77 76.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.592 175.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.584 ' HA ' ' CD2' ' A' ' 14' ' ' PHE . 1.1 mp -74.21 -36.01 42.25 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.793 0 CA-C-N 114.407 -1.269 . . . . 0.0 109.832 177.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -72.4 -13.44 61.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.327 -0.851 . . . . 0.0 109.004 172.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.52 -37.75 13.66 Favored Glycine 0 N--CA 1.439 -1.12 0 CA-C-N 114.919 -1.037 . . . . 0.0 111.371 172.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' CD2' ' HA ' ' A' ' 11' ' ' ILE . 19.9 m-85 -59.58 -65.24 0.71 Allowed 'General case' 0 N--CA 1.441 -0.923 0 CA-C-O 121.069 0.461 . . . . 0.0 110.699 174.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 11' ' ' ILE . 27.2 pt -59.67 116.24 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.26 179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 t . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.8 -0.619 . . . . 0.0 109.409 -179.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.7 mmtp . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 80.2 m95 -85.5 -10.27 56.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.591 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.661 ' O ' ' HB ' ' A' ' 6' ' ' ILE . . . -70.55 -10.35 59.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.279 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.15 -36.26 76.42 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.713 0 CA-C-O 121.069 0.461 . . . . 0.0 109.871 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -66.73 -18.52 65.41 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.5 176.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.661 ' HB ' ' O ' ' A' ' 3' ' ' ALA . 1.1 mp -73.76 -40.33 53.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 175.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.487 ' O ' HD13 ' A' ' 11' ' ' ILE . 2.2 mp -63.85 -40.41 88.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.125 -0.694 . . . . 0.0 109.125 172.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 12' ' ' LYS . 36.4 mmt180 -63.55 -25.62 68.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.477 175.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -66.14 -40.63 90.77 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-O 121.431 0.634 . . . . 0.0 109.53 177.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -65.35 -32.9 74.78 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.947 -1.024 . . . . 0.0 109.64 177.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.487 HD13 ' O ' ' A' ' 7' ' ' ILE . 0.9 OUTLIER -69.14 -35.0 66.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.097 -0.956 . . . . 0.0 109.78 175.568 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 8' ' ' ARG . 99.0 mttt -71.59 -16.26 62.29 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.497 177.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -91.15 -32.51 8.83 Favored Glycine 0 N--CA 1.447 -0.619 0 N-CA-C 111.247 -0.741 . . . . 0.0 111.247 171.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CE2' HG23 ' A' ' 15' ' ' ILE . 0.8 OUTLIER -72.32 -54.72 8.67 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 122.767 0.427 . . . . 0.0 110.997 -179.249 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG23 ' CE2' ' A' ' 14' ' ' PHE . 33.1 pt -105.7 174.79 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-O 120.887 0.375 . . . . 0.0 110.837 174.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.0 m . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.275 -0.869 . . . . 0.0 109.914 177.229 . . . . . . . . 0 0 . 1 stop_ save_