data_1m23_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1m23 _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.9 mp . . . . . 0 C--O 1.203 -1.346 0 CA-C-O 121.265 0.555 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER -53.73 -49.29 68.45 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 120.629 -1.295 . . . . 0.0 109.007 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.457 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.63 -15.29 24.13 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.455 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.657 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.71 -15.31 52.38 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.27 -0.894 . . . . 0.0 108.942 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -93.42 -64.92 1.03 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.387 0.613 . . . . 0.0 109.574 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -31.49 35.61 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.297 -0.877 . . . . 0.0 109.422 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.504 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -62.37 -93.59 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.353 -0.842 . . . . 0.0 109.632 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -32.93 -49.84 0.25 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.748 -0.595 . . . . 0.0 111.478 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -36.19 -53.97 0.8 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 -179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.622 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 6.2 mp -98.58 -19.31 17.66 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.167 -0.958 . . . . 0.0 111.086 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 8' ' ' ALA . 9.6 pt -132.37 45.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.363 -0.836 . . . . 0.0 111.044 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 1.3 mt-10 . . . . . 0 C--N 1.289 -2.037 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.338 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.636 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.204 -1.305 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -59.03 -46.71 87.54 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.474 -1.391 . . . . 0.0 107.723 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -16.94 22.16 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 121.33 -0.856 . . . . 0.0 111.113 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.93 -23.1 39.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.035 0.921 . . . . 0.0 108.849 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t80 -93.99 -59.29 2.01 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.5 0.667 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -28.14 7.74 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.422 -0.799 . . . . 0.0 109.667 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.45 -91.94 0.05 Allowed 'General case' 0 C--O 1.205 -1.268 0 O-C-N 121.216 -0.927 . . . . 0.0 109.956 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.28 -48.32 0.17 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.761 -0.587 . . . . 0.0 111.643 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -36.26 -55.49 0.8 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.2 -0.937 . . . . 0.0 110.915 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.0 mp -99.02 -19.27 17.35 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.203 -0.935 . . . . 0.0 111.194 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' ALA . 14.7 pt -131.78 45.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.353 -0.842 . . . . 0.0 111.052 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.061 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.629 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.5 mp . . . . . 0 C--O 1.202 -1.434 0 CA-C-O 121.394 0.616 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.89 85.76 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.329 -1.482 . . . . 0.0 107.433 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.531 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.66 -22.55 18.08 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.236 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.632 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -80.03 -20.21 45.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.679 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -91.84 -60.02 1.97 Allowed 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.325 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -52.49 -27.14 15.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.163 -0.96 . . . . 0.0 110.093 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.04 -94.6 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.294 0 O-C-N 121.108 -0.995 . . . . 0.0 110.462 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.39 -47.18 0.15 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.615 -0.678 . . . . 0.0 111.614 -178.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 4.0 tptt -36.3 -55.44 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 110.72 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.2 mp -99.02 -20.71 16.59 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.146 -0.971 . . . . 0.0 111.678 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 8' ' ' ALA . 47.8 pt -132.01 48.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.157 -0.964 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 2.1 mt-10 . . . . . 0 C--N 1.292 -1.922 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.196 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.643 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.99 -45.08 87.35 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 120.434 -1.416 . . . . 0.0 107.599 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -95.05 -19.73 19.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.421 -0.799 . . . . 0.0 111.155 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.643 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.12 -19.54 47.08 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.345 -0.847 . . . . 0.0 109.173 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.4 t80 -91.21 -60.91 1.78 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.724 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -29.1 37.14 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.552 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.492 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -68.64 -94.03 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.407 -0.808 . . . . 0.0 110.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 3.1 mtpp -32.75 -47.93 0.18 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.697 -0.627 . . . . 0.0 111.338 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 25.3 ttpt -36.24 -56.35 0.76 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.28 -0.887 . . . . 0.0 110.809 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.6 mp -98.7 -17.42 18.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.121 -0.987 . . . . 0.0 111.2 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' ILE . 7.2 pt -132.27 44.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 O-C-N 121.338 -0.851 . . . . 0.0 111.113 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.117 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.637 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.205 -1.26 0 CA-C-O 121.291 0.567 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -42.23 97.77 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.76 -21.29 18.83 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.102 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.637 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.45 -22.62 43.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.0 109.126 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.5 t80 -91.85 -64.27 1.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.51 0.671 . . . . 0.0 109.255 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -46.2 -27.03 0.89 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -80.83 -95.01 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 121.25 -0.907 . . . . 0.0 110.22 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.581 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.92 -48.78 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 O-C-N 121.802 -0.561 . . . . 0.0 111.528 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 11.4 tttt -36.4 -55.45 0.82 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 5.9 mp -98.43 -17.51 18.75 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.001 -1.062 . . . . 0.0 111.128 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.486 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.0 pt -132.35 44.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.403 -0.811 . . . . 0.0 111.03 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mt-10 . . . . . 0 C--N 1.289 -2.038 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.239 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.643 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.201 -1.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.233 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -44.21 84.55 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.419 -1.426 . . . . 0.0 107.758 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.86 -20.82 19.12 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.994 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.643 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.37 -18.93 54.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.238 -0.914 . . . . 0.0 109.263 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -93.25 -56.63 2.88 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.403 0.621 . . . . 0.0 109.654 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -56.89 -30.02 63.51 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.491 -0.756 . . . . 0.0 109.865 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -71.2 -91.59 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.319 0 O-C-N 121.265 -0.897 . . . . 0.0 110.017 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -33.31 -46.47 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.788 -0.57 . . . . 0.0 111.525 -179.22 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 9' ' ' LYS . 3.8 mtpt -37.1 -55.16 0.97 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.001 -1.062 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.8 mp -96.46 -19.62 19.01 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.23 -0.919 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 12' ' ' ILE . 10.7 pt -132.35 46.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 121.396 -0.815 . . . . 0.0 111.071 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mt-10 . . . . . 0 C--N 1.288 -2.096 0 C-N-CA 119.204 -0.999 . . . . 0.0 111.174 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.642 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.203 -1.393 0 CA-C-O 121.494 0.664 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.67 85.79 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.423 -1.423 . . . . 0.0 107.379 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.528 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.84 -22.86 17.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.207 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.79 -19.71 47.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.742 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -93.23 -57.78 2.51 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.401 0.62 . . . . 0.0 109.976 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.99 -28.1 49.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.466 -0.771 . . . . 0.0 109.664 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.489 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -74.04 -92.04 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.306 -0.872 . . . . 0.0 109.678 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -33.16 -47.25 0.18 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.78 -0.575 . . . . 0.0 111.086 -179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' CE ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -36.26 -56.54 0.76 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.246 -0.909 . . . . 0.0 111.071 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 11' ' ' LEU . 1.3 mt -98.92 -16.7 18.69 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.972 -1.08 . . . . 0.0 110.97 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -131.77 43.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.341 -0.849 . . . . 0.0 111.112 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.58 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mt-10 . . . . . 0 C--N 1.288 -2.067 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.982 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.634 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.43 0 CA-C-O 121.29 0.566 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -55.51 -44.6 76.78 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.48 -1.387 . . . . 0.0 107.945 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -23.21 17.74 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.434 -0.791 . . . . 0.0 110.779 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.0 -17.1 59.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.589 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.5 -62.93 1.27 Allowed 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.599 0.714 . . . . 0.0 109.508 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -47.44 -28.22 2.05 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.582 -0.699 . . . . 0.0 109.963 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -79.81 -90.11 0.06 Allowed 'General case' 0 C--O 1.205 -1.241 0 O-C-N 121.216 -0.928 . . . . 0.0 110.113 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.51 -47.56 0.16 Allowed 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.857 -0.527 . . . . 0.0 111.382 -179.009 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.2 tptt -36.6 -56.51 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.999 -1.063 . . . . 0.0 110.697 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.8 mp -96.18 -18.03 20.39 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.262 -0.899 . . . . 0.0 111.051 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.8 pt -132.09 44.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.322 -0.861 . . . . 0.0 110.97 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.288 -2.097 0 C-N-CA 119.086 -1.046 . . . . 0.0 111.099 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.645 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.403 0 CA-C-O 121.334 0.588 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.576 -1.328 . . . . 0.0 107.843 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.521 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.36 -20.16 19.99 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.388 -0.82 . . . . 0.0 110.901 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.645 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.99 -16.66 54.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.292 -0.88 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -89.71 -67.67 0.83 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.235 0.541 . . . . 0.0 109.934 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -48.32 -28.55 3.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.285 -0.884 . . . . 0.0 109.73 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -69.84 -94.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.298 -0.876 . . . . 0.0 110.217 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.578 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.8 mptt -32.85 -45.97 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.694 -0.629 . . . . 0.0 111.023 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 tptt -36.32 -57.22 0.75 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.395 -0.816 . . . . 0.0 110.739 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 HD22 ' CG ' ' A' ' 10' ' ' LYS . 2.0 mt -98.88 -16.42 18.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.72 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 12' ' ' ILE . 5.7 pt -131.49 44.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.31 -0.869 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.17 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.63 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.201 -1.485 0 CA-C-O 121.338 0.589 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -43.96 79.5 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.46 -1.4 . . . . 0.0 107.732 178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.525 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.79 -21.87 18.44 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.396 -0.815 . . . . 0.0 111.039 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.63 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.09 -17.31 55.38 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 109.452 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.26 -62.95 1.27 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.441 0.638 . . . . 0.0 109.527 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -48.56 -28.04 3.15 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.466 -0.771 . . . . 0.0 109.256 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -77.24 -89.42 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.277 -0.889 . . . . 0.0 109.978 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 27.6 mmtt -31.61 -51.11 0.2 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.845 -0.535 . . . . 0.0 111.186 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.1 ttpt -35.37 -55.95 0.64 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.418 -0.801 . . . . 0.0 111.078 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.9 mp -97.24 -19.64 18.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.017 -1.052 . . . . 0.0 111.293 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' ALA . 18.3 pt -131.89 46.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.27 -0.893 . . . . 0.0 110.526 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.592 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 3.3 mt-10 . . . . . 0 C--N 1.29 -1.988 0 CA-C-O 117.969 -1.015 . . . . 0.0 111.187 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 122.042 0.925 . . . . 0.0 110.422 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.657 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.9 mp -44.91 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 1' ' ' TYR . 0.2 OUTLIER -53.73 -49.29 68.45 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 120.629 -1.295 . . . . 0.0 109.007 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.457 ' O ' ' HB1' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.63 -15.29 24.13 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.455 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.657 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.71 -15.31 52.38 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.27 -0.894 . . . . 0.0 108.942 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -93.42 -64.92 1.03 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.387 0.613 . . . . 0.0 109.574 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -31.49 35.61 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.297 -0.877 . . . . 0.0 109.422 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.504 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -62.37 -93.59 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.353 -0.842 . . . . 0.0 109.632 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.575 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -32.93 -49.84 0.25 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.748 -0.595 . . . . 0.0 111.478 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -36.19 -53.97 0.8 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 -179.771 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.622 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 6.2 mp -98.58 -19.31 17.66 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.167 -0.958 . . . . 0.0 111.086 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 8' ' ' ALA . 9.6 pt -132.37 45.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.363 -0.836 . . . . 0.0 111.044 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.575 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 1.3 mt-10 . . . . . 0 C--N 1.289 -2.037 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.338 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.471 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.6 m-85 . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.636 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -52.01 -16.64 0.79 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.467 -1.396 . . . . 0.0 110.267 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -59.03 -46.71 87.54 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.474 -1.391 . . . . 0.0 107.723 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.471 ' HG3' ' O ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -95.2 -16.94 22.16 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 121.33 -0.856 . . . . 0.0 111.113 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.636 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.93 -23.1 39.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.035 0.921 . . . . 0.0 108.849 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.535 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t80 -93.99 -59.29 2.01 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.5 0.667 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -28.14 7.74 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.422 -0.799 . . . . 0.0 109.667 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.45 -91.94 0.05 Allowed 'General case' 0 C--O 1.205 -1.268 0 O-C-N 121.216 -0.927 . . . . 0.0 109.956 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.604 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.28 -48.32 0.17 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.761 -0.587 . . . . 0.0 111.643 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -36.26 -55.49 0.8 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.2 -0.937 . . . . 0.0 110.915 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.0 mp -99.02 -19.27 17.35 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.203 -0.935 . . . . 0.0 111.194 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.516 HG12 ' O ' ' A' ' 8' ' ' ALA . 14.7 pt -131.78 45.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.353 -0.842 . . . . 0.0 111.052 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.604 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.061 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.3 m-85 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.629 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.5 mp -56.46 -15.94 5.02 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 120.253 -1.53 . . . . 0.0 110.108 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.89 85.76 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.329 -1.482 . . . . 0.0 107.433 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.531 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.66 -22.55 18.08 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.236 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.632 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -80.03 -20.21 45.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.679 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.566 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -91.84 -60.02 1.97 Allowed 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.325 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -52.49 -27.14 15.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.163 -0.96 . . . . 0.0 110.093 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.04 -94.6 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.294 0 O-C-N 121.108 -0.995 . . . . 0.0 110.462 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.594 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.39 -47.18 0.15 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.615 -0.678 . . . . 0.0 111.614 -178.772 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 4.0 tptt -36.3 -55.44 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 110.72 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.2 mp -99.02 -20.71 16.59 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.146 -0.971 . . . . 0.0 111.678 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.522 HG12 ' O ' ' A' ' 8' ' ' ALA . 47.8 pt -132.01 48.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.157 -0.964 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.594 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 2.1 mt-10 . . . . . 0 C--N 1.292 -1.922 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.196 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.4 m-85 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.643 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -52.91 -16.95 1.17 Allowed 'General case' 0 C--O 1.202 -1.445 0 O-C-N 120.512 -1.368 . . . . 0.0 110.228 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.99 -45.08 87.35 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 120.434 -1.416 . . . . 0.0 107.599 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -95.05 -19.73 19.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.421 -0.799 . . . . 0.0 111.155 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.643 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.12 -19.54 47.08 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.345 -0.847 . . . . 0.0 109.173 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.585 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.4 t80 -91.21 -60.91 1.78 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.724 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -29.1 37.14 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.552 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.492 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -68.64 -94.03 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.407 -0.808 . . . . 0.0 110.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.587 ' HA ' ' HA ' ' A' ' 13' ' ' GLU . 3.1 mtpp -32.75 -47.93 0.18 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.697 -0.627 . . . . 0.0 111.338 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 25.3 ttpt -36.24 -56.35 0.76 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.28 -0.887 . . . . 0.0 110.809 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.6 mp -98.7 -17.42 18.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.121 -0.987 . . . . 0.0 111.2 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' ILE . 7.2 pt -132.27 44.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 O-C-N 121.338 -0.851 . . . . 0.0 111.113 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.587 ' HA ' ' HA ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.117 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.485 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 2.5 m-85 . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.637 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -55.51 -14.65 2.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 120.47 -1.394 . . . . 0.0 110.262 179.507 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -42.23 97.77 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.52 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.76 -21.29 18.83 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.102 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.637 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.45 -22.62 43.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.0 109.126 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.537 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.5 t80 -91.85 -64.27 1.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.51 0.671 . . . . 0.0 109.255 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -46.2 -27.03 0.89 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -80.83 -95.01 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 121.25 -0.907 . . . . 0.0 110.22 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.581 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.92 -48.78 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 O-C-N 121.802 -0.561 . . . . 0.0 111.528 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 11.4 tttt -36.4 -55.45 0.82 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 5.9 mp -98.43 -17.51 18.75 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.001 -1.062 . . . . 0.0 111.128 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.0 pt -132.35 44.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.403 -0.811 . . . . 0.0 111.03 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.581 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mt-10 . . . . . 0 C--N 1.289 -2.038 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.239 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.643 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -52.63 -17.35 1.25 Allowed 'General case' 0 C--O 1.201 -1.462 0 O-C-N 120.372 -1.455 . . . . 0.0 110.233 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -44.21 84.55 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.419 -1.426 . . . . 0.0 107.758 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.529 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.86 -20.82 19.12 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.994 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.643 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.37 -18.93 54.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.238 -0.914 . . . . 0.0 109.263 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.583 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -93.25 -56.63 2.88 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.403 0.621 . . . . 0.0 109.654 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -56.89 -30.02 63.51 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.491 -0.756 . . . . 0.0 109.865 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.5 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -71.2 -91.59 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.319 0 O-C-N 121.265 -0.897 . . . . 0.0 110.017 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -33.31 -46.47 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.788 -0.57 . . . . 0.0 111.525 -179.22 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 9' ' ' LYS . 3.8 mtpt -37.1 -55.16 0.97 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.001 -1.062 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.8 mp -96.46 -19.62 19.01 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.23 -0.919 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.508 ' O ' HG13 ' A' ' 12' ' ' ILE . 10.7 pt -132.35 46.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 121.396 -0.815 . . . . 0.0 111.071 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mt-10 . . . . . 0 C--N 1.288 -2.096 0 C-N-CA 119.204 -0.999 . . . . 0.0 111.174 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 3.3 m-85 . . . . . 0 N--CA 1.495 1.791 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.642 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp -56.5 -15.97 5.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.438 -1.414 . . . . 0.0 109.877 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.48 -41.67 85.79 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.423 -1.423 . . . . 0.0 107.379 177.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.528 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.84 -22.86 17.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.207 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.642 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.79 -19.71 47.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.742 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.569 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -93.23 -57.78 2.51 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.401 0.62 . . . . 0.0 109.976 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.99 -28.1 49.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.466 -0.771 . . . . 0.0 109.664 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.489 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -74.04 -92.04 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.306 -0.872 . . . . 0.0 109.678 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.58 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -33.16 -47.25 0.18 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.78 -0.575 . . . . 0.0 111.086 -179.422 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' CE ' ' HA ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -36.26 -56.54 0.76 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.246 -0.909 . . . . 0.0 111.071 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 11' ' ' LEU . 1.3 mt -98.92 -16.7 18.69 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.972 -1.08 . . . . 0.0 110.97 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.489 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -131.77 43.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.341 -0.849 . . . . 0.0 111.112 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.58 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mt-10 . . . . . 0 C--N 1.288 -2.067 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.982 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.489 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.634 ' CD2' ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -50.9 -17.56 0.6 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.147 -1.596 . . . . 0.0 110.046 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 1' ' ' TYR . 8.7 mmp_? -55.51 -44.6 76.78 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.48 -1.387 . . . . 0.0 107.945 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.489 ' HG3' ' O ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -94.59 -23.21 17.74 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.434 -0.791 . . . . 0.0 110.779 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.634 ' CE1' ' CD2' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.0 -17.1 59.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.589 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.5 -62.93 1.27 Allowed 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.599 0.714 . . . . 0.0 109.508 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -47.44 -28.22 2.05 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.582 -0.699 . . . . 0.0 109.963 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -79.81 -90.11 0.06 Allowed 'General case' 0 C--O 1.205 -1.241 0 O-C-N 121.216 -0.928 . . . . 0.0 110.113 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.51 -47.56 0.16 Allowed 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.857 -0.527 . . . . 0.0 111.382 -179.009 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.2 tptt -36.6 -56.51 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.999 -1.063 . . . . 0.0 110.697 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.8 mp -96.18 -18.03 20.39 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.262 -0.899 . . . . 0.0 111.051 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.494 ' O ' HG13 ' A' ' 12' ' ' ILE . 6.8 pt -132.09 44.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.322 -0.861 . . . . 0.0 110.97 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.288 -2.097 0 C-N-CA 119.086 -1.046 . . . . 0.0 111.099 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.541 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.2 m-85 . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.645 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -52.34 -18.43 1.59 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.528 -1.357 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.576 -1.328 . . . . 0.0 107.843 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.521 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.36 -20.16 19.99 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.388 -0.82 . . . . 0.0 110.901 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.645 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.99 -16.66 54.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.292 -0.88 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.576 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -89.71 -67.67 0.83 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.235 0.541 . . . . 0.0 109.934 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -48.32 -28.55 3.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.285 -0.884 . . . . 0.0 109.73 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -69.84 -94.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.298 -0.876 . . . . 0.0 110.217 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.8 mptt -32.85 -45.97 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.694 -0.629 . . . . 0.0 111.023 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 2.6 tptt -36.32 -57.22 0.75 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.395 -0.816 . . . . 0.0 110.739 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 HD22 ' CG ' ' A' ' 10' ' ' LYS . 2.0 mt -98.88 -16.42 18.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.72 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 12' ' ' ILE . 5.7 pt -131.49 44.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.31 -0.869 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.17 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.63 ' HA ' ' CD1' ' A' ' 5' ' ' PHE . 1.4 mp -52.55 -17.95 1.5 Allowed 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.313 -1.492 . . . . 0.0 110.004 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -43.96 79.5 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.46 -1.4 . . . . 0.0 107.732 178.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.525 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.79 -21.87 18.44 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.396 -0.815 . . . . 0.0 111.039 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.63 ' CD1' ' HA ' ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.09 -17.31 55.38 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 109.452 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.26 -62.95 1.27 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.441 0.638 . . . . 0.0 109.527 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -48.56 -28.04 3.15 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.466 -0.771 . . . . 0.0 109.256 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.529 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -77.24 -89.42 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.277 -0.889 . . . . 0.0 109.978 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 27.6 mmtt -31.61 -51.11 0.2 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.845 -0.535 . . . . 0.0 111.186 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.1 ttpt -35.37 -55.95 0.64 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.418 -0.801 . . . . 0.0 111.078 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.9 mp -97.24 -19.64 18.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.017 -1.052 . . . . 0.0 111.293 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' ALA . 18.3 pt -131.89 46.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.27 -0.893 . . . . 0.0 110.526 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.592 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 3.3 mt-10 . . . . . 0 C--N 1.29 -1.988 0 CA-C-O 117.969 -1.015 . . . . 0.0 111.187 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.982 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.9 mp . . . . . 0 C--O 1.203 -1.346 0 CA-C-O 121.265 0.555 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER -53.73 -49.29 68.45 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 120.629 -1.295 . . . . 0.0 109.007 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.63 -15.29 24.13 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.455 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.982 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.71 -15.31 52.38 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.27 -0.894 . . . . 0.0 108.942 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -93.42 -64.92 1.03 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.387 0.613 . . . . 0.0 109.574 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -31.49 35.61 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.297 -0.877 . . . . 0.0 109.422 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 4' ' ' ARG . . . -62.37 -93.59 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.353 -0.842 . . . . 0.0 109.632 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -32.93 -49.84 0.25 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.748 -0.595 . . . . 0.0 111.478 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.542 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -36.19 -53.97 0.8 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 -179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.622 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 6.2 mp -98.58 -19.31 17.66 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.167 -0.958 . . . . 0.0 111.086 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' ALA . 9.6 pt -132.37 45.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.363 -0.836 . . . . 0.0 111.044 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.3 mt-10 . . . . . 0 C--N 1.289 -2.037 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.338 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.204 -1.305 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -59.03 -46.71 87.54 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.474 -1.391 . . . . 0.0 107.723 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -16.94 22.16 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 121.33 -0.856 . . . . 0.0 111.113 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.806 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.93 -23.1 39.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.035 0.921 . . . . 0.0 108.849 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t80 -93.99 -59.29 2.01 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.5 0.667 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -28.14 7.74 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.422 -0.799 . . . . 0.0 109.667 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.45 -91.94 0.05 Allowed 'General case' 0 C--O 1.205 -1.268 0 O-C-N 121.216 -0.927 . . . . 0.0 109.956 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.585 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.28 -48.32 0.17 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.761 -0.587 . . . . 0.0 111.643 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -36.26 -55.49 0.8 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.2 -0.937 . . . . 0.0 110.915 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 4.0 mp -99.02 -19.27 17.35 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.203 -0.935 . . . . 0.0 111.194 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 8' ' ' ALA . 14.7 pt -131.78 45.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.353 -0.842 . . . . 0.0 111.052 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.585 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.061 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.04 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.5 mp . . . . . 0 C--O 1.202 -1.434 0 CA-C-O 121.394 0.616 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.89 85.76 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.329 -1.482 . . . . 0.0 107.433 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.66 -22.55 18.08 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.236 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 1.04 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.03 -20.21 45.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.679 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -91.84 -60.02 1.97 Allowed 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.325 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -52.49 -27.14 15.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.163 -0.96 . . . . 0.0 110.093 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.04 -94.6 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.294 0 O-C-N 121.108 -0.995 . . . . 0.0 110.462 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.39 -47.18 0.15 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.615 -0.678 . . . . 0.0 111.614 -178.772 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 4.0 tptt -36.3 -55.44 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 110.72 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.605 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 4.2 mp -99.02 -20.71 16.59 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.146 -0.971 . . . . 0.0 111.678 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 8' ' ' ALA . 47.8 pt -132.01 48.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.157 -0.964 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 2.1 mt-10 . . . . . 0 C--N 1.292 -1.922 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.196 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.949 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.99 -45.08 87.35 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 120.434 -1.416 . . . . 0.0 107.599 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -95.05 -19.73 19.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.421 -0.799 . . . . 0.0 111.155 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.949 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.12 -19.54 47.08 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.345 -0.847 . . . . 0.0 109.173 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.4 t80 -91.21 -60.91 1.78 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.724 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -29.1 37.14 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.552 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -68.64 -94.03 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.407 -0.808 . . . . 0.0 110.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 3.1 mtpp -32.75 -47.93 0.18 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.697 -0.627 . . . . 0.0 111.338 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 25.3 ttpt -36.24 -56.35 0.76 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.28 -0.887 . . . . 0.0 110.809 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 4.6 mp -98.7 -17.42 18.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.121 -0.987 . . . . 0.0 111.2 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 pt -132.27 44.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 O-C-N 121.338 -0.851 . . . . 0.0 111.113 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.117 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.028 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.205 -1.26 0 CA-C-O 121.291 0.567 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -42.23 97.77 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.76 -21.29 18.83 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.102 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 1.028 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.45 -22.62 43.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.0 109.126 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.5 t80 -91.85 -64.27 1.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.51 0.671 . . . . 0.0 109.255 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -46.2 -27.03 0.89 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.83 -95.01 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 121.25 -0.907 . . . . 0.0 110.22 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.92 -48.78 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 O-C-N 121.802 -0.561 . . . . 0.0 111.528 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 11' ' ' LEU . 11.4 tttt -36.4 -55.45 0.82 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 5.9 mp -98.43 -17.51 18.75 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.001 -1.062 . . . . 0.0 111.128 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -132.35 44.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.403 -0.811 . . . . 0.0 111.03 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mt-10 . . . . . 0 C--N 1.289 -2.038 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.239 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.994 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.201 -1.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.233 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -44.21 84.55 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.419 -1.426 . . . . 0.0 107.758 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.86 -20.82 19.12 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.994 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.994 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.37 -18.93 54.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.238 -0.914 . . . . 0.0 109.263 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -93.25 -56.63 2.88 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.403 0.621 . . . . 0.0 109.654 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -56.89 -30.02 63.51 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.491 -0.756 . . . . 0.0 109.865 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -71.2 -91.59 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.319 0 O-C-N 121.265 -0.897 . . . . 0.0 110.017 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -33.31 -46.47 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.788 -0.57 . . . . 0.0 111.525 -179.22 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 9' ' ' LYS . 3.8 mtpt -37.1 -55.16 0.97 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.001 -1.062 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.613 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 3.8 mp -96.46 -19.62 19.01 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.23 -0.919 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 8' ' ' ALA . 10.7 pt -132.35 46.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 121.396 -0.815 . . . . 0.0 111.071 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.1 mt-10 . . . . . 0 C--N 1.288 -2.096 0 C-N-CA 119.204 -0.999 . . . . 0.0 111.174 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.037 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.203 -1.393 0 CA-C-O 121.494 0.664 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -58.48 -41.67 85.79 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.423 -1.423 . . . . 0.0 107.379 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.84 -22.86 17.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.207 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 1.037 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.79 -19.71 47.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.742 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -93.23 -57.78 2.51 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.401 0.62 . . . . 0.0 109.976 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.99 -28.1 49.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.466 -0.771 . . . . 0.0 109.664 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -74.04 -92.04 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.306 -0.872 . . . . 0.0 109.678 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -33.16 -47.25 0.18 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.78 -0.575 . . . . 0.0 111.086 -179.422 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' C ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -36.26 -56.54 0.76 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.246 -0.909 . . . . 0.0 111.071 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.561 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.3 mt -98.92 -16.7 18.69 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.972 -1.08 . . . . 0.0 110.97 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -131.77 43.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.341 -0.849 . . . . 0.0 111.112 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mt-10 . . . . . 0 C--N 1.288 -2.067 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.982 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.981 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.43 0 CA-C-O 121.29 0.566 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -55.51 -44.6 76.78 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.48 -1.387 . . . . 0.0 107.945 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -23.21 17.74 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.434 -0.791 . . . . 0.0 110.779 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.981 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.0 -17.1 59.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.5 -62.93 1.27 Allowed 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.599 0.714 . . . . 0.0 109.508 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -47.44 -28.22 2.05 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.582 -0.699 . . . . 0.0 109.963 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -79.81 -90.11 0.06 Allowed 'General case' 0 C--O 1.205 -1.241 0 O-C-N 121.216 -0.928 . . . . 0.0 110.113 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.51 -47.56 0.16 Allowed 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.857 -0.527 . . . . 0.0 111.382 -179.009 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.2 tptt -36.6 -56.51 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.999 -1.063 . . . . 0.0 110.697 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 1.8 mp -96.18 -18.03 20.39 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.262 -0.899 . . . . 0.0 111.051 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.8 pt -132.09 44.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.322 -0.861 . . . . 0.0 110.97 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.288 -2.097 0 C-N-CA 119.086 -1.046 . . . . 0.0 111.099 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.964 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.403 0 CA-C-O 121.334 0.588 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.576 -1.328 . . . . 0.0 107.843 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.53 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.36 -20.16 19.99 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.388 -0.82 . . . . 0.0 110.901 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.964 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.99 -16.66 54.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.292 -0.88 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.591 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -89.71 -67.67 0.83 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.235 0.541 . . . . 0.0 109.934 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -48.32 -28.55 3.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.285 -0.884 . . . . 0.0 109.73 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -69.84 -94.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.298 -0.876 . . . . 0.0 110.217 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.578 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.8 mptt -32.85 -45.97 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.694 -0.629 . . . . 0.0 111.023 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 11' ' ' LEU . 2.6 tptt -36.32 -57.22 0.75 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.395 -0.816 . . . . 0.0 110.739 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.65 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.0 mt -98.88 -16.42 18.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.72 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' ALA . 5.7 pt -131.49 44.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.31 -0.869 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.17 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.948 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.201 -1.485 0 CA-C-O 121.338 0.589 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -43.96 79.5 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.46 -1.4 . . . . 0.0 107.732 178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.79 -21.87 18.44 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.396 -0.815 . . . . 0.0 111.039 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . 0.948 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.09 -17.31 55.38 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 109.452 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.26 -62.95 1.27 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.441 0.638 . . . . 0.0 109.527 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -48.56 -28.04 3.15 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.466 -0.771 . . . . 0.0 109.256 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -77.24 -89.42 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.277 -0.889 . . . . 0.0 109.978 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 27.6 mmtt -31.61 -51.11 0.2 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.845 -0.535 . . . . 0.0 111.186 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.1 ttpt -35.37 -55.95 0.64 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.418 -0.801 . . . . 0.0 111.078 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.606 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 2.9 mp -97.24 -19.64 18.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.017 -1.052 . . . . 0.0 111.293 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 8' ' ' ALA . 18.3 pt -131.89 46.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.27 -0.893 . . . . 0.0 110.526 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.592 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 3.3 mt-10 . . . . . 0 C--N 1.29 -1.988 0 CA-C-O 117.969 -1.015 . . . . 0.0 111.187 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 122.042 0.925 . . . . 0.0 110.422 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.982 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.9 mp -44.91 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 1' ' ' TYR . 0.2 OUTLIER -53.73 -49.29 68.45 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 120.629 -1.295 . . . . 0.0 109.007 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.63 -15.29 24.13 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.455 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.982 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.71 -15.31 52.38 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.27 -0.894 . . . . 0.0 108.942 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -93.42 -64.92 1.03 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.387 0.613 . . . . 0.0 109.574 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -31.49 35.61 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.297 -0.877 . . . . 0.0 109.422 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 4' ' ' ARG . . . -62.37 -93.59 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.353 -0.842 . . . . 0.0 109.632 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -32.93 -49.84 0.25 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.748 -0.595 . . . . 0.0 111.478 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -36.19 -53.97 0.8 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 -179.771 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.622 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 6.2 mp -98.58 -19.31 17.66 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.167 -0.958 . . . . 0.0 111.086 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' ALA . 9.6 pt -132.37 45.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.363 -0.836 . . . . 0.0 111.044 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.3 mt-10 . . . . . 0 C--N 1.289 -2.037 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.338 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.6 m-85 . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -52.01 -16.64 0.79 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.467 -1.396 . . . . 0.0 110.267 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -59.03 -46.71 87.54 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.474 -1.391 . . . . 0.0 107.723 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -95.2 -16.94 22.16 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 121.33 -0.856 . . . . 0.0 111.113 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.806 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.93 -23.1 39.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.035 0.921 . . . . 0.0 108.849 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t80 -93.99 -59.29 2.01 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.5 0.667 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -28.14 7.74 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.422 -0.799 . . . . 0.0 109.667 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.45 -91.94 0.05 Allowed 'General case' 0 C--O 1.205 -1.268 0 O-C-N 121.216 -0.927 . . . . 0.0 109.956 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.585 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.28 -48.32 0.17 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.761 -0.587 . . . . 0.0 111.643 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -36.26 -55.49 0.8 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.2 -0.937 . . . . 0.0 110.915 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 4.0 mp -99.02 -19.27 17.35 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.203 -0.935 . . . . 0.0 111.194 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 8' ' ' ALA . 14.7 pt -131.78 45.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.353 -0.842 . . . . 0.0 111.052 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.585 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.061 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.3 m-85 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.04 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.5 mp -56.46 -15.94 5.02 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 120.253 -1.53 . . . . 0.0 110.108 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.89 85.76 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.329 -1.482 . . . . 0.0 107.433 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.66 -22.55 18.08 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.236 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.04 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.03 -20.21 45.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.679 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -91.84 -60.02 1.97 Allowed 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.325 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -52.49 -27.14 15.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.163 -0.96 . . . . 0.0 110.093 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.04 -94.6 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.294 0 O-C-N 121.108 -0.995 . . . . 0.0 110.462 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.39 -47.18 0.15 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.615 -0.678 . . . . 0.0 111.614 -178.772 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 4.0 tptt -36.3 -55.44 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 110.72 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.605 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 4.2 mp -99.02 -20.71 16.59 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.146 -0.971 . . . . 0.0 111.678 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 8' ' ' ALA . 47.8 pt -132.01 48.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.157 -0.964 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 2.1 mt-10 . . . . . 0 C--N 1.292 -1.922 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.196 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.4 m-85 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.949 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -52.91 -16.95 1.17 Allowed 'General case' 0 C--O 1.202 -1.445 0 O-C-N 120.512 -1.368 . . . . 0.0 110.228 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.99 -45.08 87.35 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 120.434 -1.416 . . . . 0.0 107.599 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -95.05 -19.73 19.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.421 -0.799 . . . . 0.0 111.155 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.949 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.12 -19.54 47.08 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.345 -0.847 . . . . 0.0 109.173 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.4 t80 -91.21 -60.91 1.78 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.724 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -29.1 37.14 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.552 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -68.64 -94.03 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.407 -0.808 . . . . 0.0 110.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 3.1 mtpp -32.75 -47.93 0.18 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.697 -0.627 . . . . 0.0 111.338 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 25.3 ttpt -36.24 -56.35 0.76 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.28 -0.887 . . . . 0.0 110.809 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 4.6 mp -98.7 -17.42 18.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.121 -0.987 . . . . 0.0 111.2 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 pt -132.27 44.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 O-C-N 121.338 -0.851 . . . . 0.0 111.113 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.117 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 2.5 m-85 . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.028 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -55.51 -14.65 2.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 120.47 -1.394 . . . . 0.0 110.262 179.507 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -42.23 97.77 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.76 -21.29 18.83 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.102 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.028 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.45 -22.62 43.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.0 109.126 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.5 t80 -91.85 -64.27 1.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.51 0.671 . . . . 0.0 109.255 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -46.2 -27.03 0.89 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.83 -95.01 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 121.25 -0.907 . . . . 0.0 110.22 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.92 -48.78 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 O-C-N 121.802 -0.561 . . . . 0.0 111.528 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 11' ' ' LEU . 11.4 tttt -36.4 -55.45 0.82 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 5.9 mp -98.43 -17.51 18.75 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.001 -1.062 . . . . 0.0 111.128 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -132.35 44.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.403 -0.811 . . . . 0.0 111.03 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mt-10 . . . . . 0 C--N 1.289 -2.038 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.239 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.994 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -52.63 -17.35 1.25 Allowed 'General case' 0 C--O 1.201 -1.462 0 O-C-N 120.372 -1.455 . . . . 0.0 110.233 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -44.21 84.55 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.419 -1.426 . . . . 0.0 107.758 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.86 -20.82 19.12 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.994 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.994 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.37 -18.93 54.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.238 -0.914 . . . . 0.0 109.263 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -93.25 -56.63 2.88 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.403 0.621 . . . . 0.0 109.654 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -56.89 -30.02 63.51 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.491 -0.756 . . . . 0.0 109.865 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -71.2 -91.59 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.319 0 O-C-N 121.265 -0.897 . . . . 0.0 110.017 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -33.31 -46.47 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.788 -0.57 . . . . 0.0 111.525 -179.22 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 9' ' ' LYS . 3.8 mtpt -37.1 -55.16 0.97 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.001 -1.062 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 3.8 mp -96.46 -19.62 19.01 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.23 -0.919 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 8' ' ' ALA . 10.7 pt -132.35 46.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 121.396 -0.815 . . . . 0.0 111.071 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.1 mt-10 . . . . . 0 C--N 1.288 -2.096 0 C-N-CA 119.204 -0.999 . . . . 0.0 111.174 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 3.3 m-85 . . . . . 0 N--CA 1.495 1.791 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.037 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp -56.5 -15.97 5.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.438 -1.414 . . . . 0.0 109.877 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -58.48 -41.67 85.79 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.423 -1.423 . . . . 0.0 107.379 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.84 -22.86 17.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.207 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.037 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.79 -19.71 47.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.742 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -93.23 -57.78 2.51 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.401 0.62 . . . . 0.0 109.976 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.99 -28.1 49.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.466 -0.771 . . . . 0.0 109.664 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -74.04 -92.04 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.306 -0.872 . . . . 0.0 109.678 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -33.16 -47.25 0.18 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.78 -0.575 . . . . 0.0 111.086 -179.422 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' C ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -36.26 -56.54 0.76 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.246 -0.909 . . . . 0.0 111.071 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' N ' HD23 ' A' ' 11' ' ' LEU . 1.3 mt -98.92 -16.7 18.69 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.972 -1.08 . . . . 0.0 110.97 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -131.77 43.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.341 -0.849 . . . . 0.0 111.112 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mt-10 . . . . . 0 C--N 1.288 -2.067 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.982 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.514 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.981 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -50.9 -17.56 0.6 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.147 -1.596 . . . . 0.0 110.046 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 1' ' ' TYR . 8.7 mmp_? -55.51 -44.6 76.78 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.48 -1.387 . . . . 0.0 107.945 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -94.59 -23.21 17.74 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.434 -0.791 . . . . 0.0 110.779 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.981 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.0 -17.1 59.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.5 -62.93 1.27 Allowed 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.599 0.714 . . . . 0.0 109.508 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -47.44 -28.22 2.05 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.582 -0.699 . . . . 0.0 109.963 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -79.81 -90.11 0.06 Allowed 'General case' 0 C--O 1.205 -1.241 0 O-C-N 121.216 -0.928 . . . . 0.0 110.113 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.51 -47.56 0.16 Allowed 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.857 -0.527 . . . . 0.0 111.382 -179.009 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.2 tptt -36.6 -56.51 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.999 -1.063 . . . . 0.0 110.697 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 1.8 mp -96.18 -18.03 20.39 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.262 -0.899 . . . . 0.0 111.051 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.8 pt -132.09 44.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.322 -0.861 . . . . 0.0 110.97 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.288 -2.097 0 C-N-CA 119.086 -1.046 . . . . 0.0 111.099 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.541 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.2 m-85 . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.964 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -52.34 -18.43 1.59 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.528 -1.357 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.576 -1.328 . . . . 0.0 107.843 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.53 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.36 -20.16 19.99 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.388 -0.82 . . . . 0.0 110.901 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.964 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.99 -16.66 54.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.292 -0.88 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.591 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -89.71 -67.67 0.83 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.235 0.541 . . . . 0.0 109.934 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -48.32 -28.55 3.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.285 -0.884 . . . . 0.0 109.73 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -69.84 -94.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.298 -0.876 . . . . 0.0 110.217 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.8 mptt -32.85 -45.97 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.694 -0.629 . . . . 0.0 111.023 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 11' ' ' LEU . 2.6 tptt -36.32 -57.22 0.75 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.395 -0.816 . . . . 0.0 110.739 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.65 ' N ' HD23 ' A' ' 11' ' ' LEU . 2.0 mt -98.88 -16.42 18.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.72 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' ALA . 5.7 pt -131.49 44.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.31 -0.869 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.17 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.948 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp -52.55 -17.95 1.5 Allowed 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.313 -1.492 . . . . 0.0 110.004 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -43.96 79.5 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.46 -1.4 . . . . 0.0 107.732 178.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.79 -21.87 18.44 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.396 -0.815 . . . . 0.0 111.039 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.948 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.09 -17.31 55.38 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 109.452 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.26 -62.95 1.27 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.441 0.638 . . . . 0.0 109.527 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -48.56 -28.04 3.15 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.466 -0.771 . . . . 0.0 109.256 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -77.24 -89.42 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.277 -0.889 . . . . 0.0 109.978 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 27.6 mmtt -31.61 -51.11 0.2 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.845 -0.535 . . . . 0.0 111.186 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.1 ttpt -35.37 -55.95 0.64 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.418 -0.801 . . . . 0.0 111.078 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.606 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 2.9 mp -97.24 -19.64 18.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.017 -1.052 . . . . 0.0 111.293 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 8' ' ' ALA . 18.3 pt -131.89 46.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.27 -0.893 . . . . 0.0 110.526 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.592 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 3.3 mt-10 . . . . . 0 C--N 1.29 -1.988 0 CA-C-O 117.969 -1.015 . . . . 0.0 111.187 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.982 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.9 mp . . . . . 0 C--O 1.203 -1.346 0 CA-C-O 121.265 0.555 . . . . 0.0 111.504 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 3' ' ' ARG . 0.2 OUTLIER -53.73 -49.29 68.45 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 120.629 -1.295 . . . . 0.0 109.007 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.63 -15.29 24.13 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.455 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.982 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.71 -15.31 52.38 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.27 -0.894 . . . . 0.0 108.942 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -93.42 -64.92 1.03 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.387 0.613 . . . . 0.0 109.574 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -31.49 35.61 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.297 -0.877 . . . . 0.0 109.422 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 4' ' ' ARG . . . -62.37 -93.59 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.353 -0.842 . . . . 0.0 109.632 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -32.93 -49.84 0.25 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.748 -0.595 . . . . 0.0 111.478 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.542 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -36.19 -53.97 0.8 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 -179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.622 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 6.2 mp -98.58 -19.31 17.66 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.167 -0.958 . . . . 0.0 111.086 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' ALA . 9.6 pt -132.37 45.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.363 -0.836 . . . . 0.0 111.044 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.3 mt-10 . . . . . 0 C--N 1.289 -2.037 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.338 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER . . . . . 0 C--O 1.204 -1.305 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -59.03 -46.71 87.54 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.474 -1.391 . . . . 0.0 107.723 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.2 -16.94 22.16 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 121.33 -0.856 . . . . 0.0 111.113 179.188 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.806 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.93 -23.1 39.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.035 0.921 . . . . 0.0 108.849 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t80 -93.99 -59.29 2.01 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.5 0.667 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -28.14 7.74 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.422 -0.799 . . . . 0.0 109.667 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.45 -91.94 0.05 Allowed 'General case' 0 C--O 1.205 -1.268 0 O-C-N 121.216 -0.927 . . . . 0.0 109.956 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.585 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.28 -48.32 0.17 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.761 -0.587 . . . . 0.0 111.643 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -36.26 -55.49 0.8 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.2 -0.937 . . . . 0.0 110.915 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.0 mp -99.02 -19.27 17.35 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.203 -0.935 . . . . 0.0 111.194 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 8' ' ' ALA . 14.7 pt -131.78 45.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.353 -0.842 . . . . 0.0 111.052 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.585 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.061 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.04 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.5 mp . . . . . 0 C--O 1.202 -1.434 0 CA-C-O 121.394 0.616 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.89 85.76 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.329 -1.482 . . . . 0.0 107.433 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.542 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.66 -22.55 18.08 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.236 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 1.04 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.03 -20.21 45.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.679 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -91.84 -60.02 1.97 Allowed 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.325 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -52.49 -27.14 15.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.163 -0.96 . . . . 0.0 110.093 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.04 -94.6 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.294 0 O-C-N 121.108 -0.995 . . . . 0.0 110.462 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.39 -47.18 0.15 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.615 -0.678 . . . . 0.0 111.614 -178.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 4.0 tptt -36.3 -55.44 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 110.72 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.2 mp -99.02 -20.71 16.59 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.146 -0.971 . . . . 0.0 111.678 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 8' ' ' ALA . 47.8 pt -132.01 48.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.157 -0.964 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 2.1 mt-10 . . . . . 0 C--N 1.292 -1.922 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.196 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.949 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.445 0 CA-C-O 121.425 0.631 . . . . 0.0 110.228 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.99 -45.08 87.35 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 120.434 -1.416 . . . . 0.0 107.599 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -95.05 -19.73 19.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.421 -0.799 . . . . 0.0 111.155 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.949 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.12 -19.54 47.08 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.345 -0.847 . . . . 0.0 109.173 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.4 t80 -91.21 -60.91 1.78 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.724 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -29.1 37.14 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.552 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -68.64 -94.03 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.407 -0.808 . . . . 0.0 110.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 3.1 mtpp -32.75 -47.93 0.18 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.697 -0.627 . . . . 0.0 111.338 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 25.3 ttpt -36.24 -56.35 0.76 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.28 -0.887 . . . . 0.0 110.809 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.6 mp -98.7 -17.42 18.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.121 -0.987 . . . . 0.0 111.2 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 pt -132.27 44.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 O-C-N 121.338 -0.851 . . . . 0.0 111.113 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.117 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.028 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.205 -1.26 0 CA-C-O 121.291 0.567 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -42.23 97.77 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.76 -21.29 18.83 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.102 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 1.028 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.45 -22.62 43.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.0 109.126 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.5 t80 -91.85 -64.27 1.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.51 0.671 . . . . 0.0 109.255 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -46.2 -27.03 0.89 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.83 -95.01 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 121.25 -0.907 . . . . 0.0 110.22 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.92 -48.78 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 O-C-N 121.802 -0.561 . . . . 0.0 111.528 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 11' ' ' LEU . 11.4 tttt -36.4 -55.45 0.82 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 5.9 mp -98.43 -17.51 18.75 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.001 -1.062 . . . . 0.0 111.128 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -132.35 44.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.403 -0.811 . . . . 0.0 111.03 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mt-10 . . . . . 0 C--N 1.289 -2.038 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.239 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.994 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER . . . . . 0 C--O 1.201 -1.462 0 CA-C-O 121.381 0.61 . . . . 0.0 110.233 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -44.21 84.55 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.419 -1.426 . . . . 0.0 107.758 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.86 -20.82 19.12 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.994 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.994 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.37 -18.93 54.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.238 -0.914 . . . . 0.0 109.263 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.606 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -93.25 -56.63 2.88 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.403 0.621 . . . . 0.0 109.654 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -56.89 -30.02 63.51 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.491 -0.756 . . . . 0.0 109.865 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -71.2 -91.59 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.319 0 O-C-N 121.265 -0.897 . . . . 0.0 110.017 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.571 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -33.31 -46.47 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.788 -0.57 . . . . 0.0 111.525 -179.22 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 9' ' ' LYS . 3.8 mtpt -37.1 -55.16 0.97 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.001 -1.062 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.8 mp -96.46 -19.62 19.01 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.23 -0.919 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 8' ' ' ALA . 10.7 pt -132.35 46.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 121.396 -0.815 . . . . 0.0 111.071 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.1 mt-10 . . . . . 0 C--N 1.288 -2.096 0 C-N-CA 119.204 -0.999 . . . . 0.0 111.174 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.037 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.203 -1.393 0 CA-C-O 121.494 0.664 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -58.48 -41.67 85.79 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.423 -1.423 . . . . 0.0 107.379 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.84 -22.86 17.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.207 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 1.037 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.79 -19.71 47.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.742 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -93.23 -57.78 2.51 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.401 0.62 . . . . 0.0 109.976 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.99 -28.1 49.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.466 -0.771 . . . . 0.0 109.664 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -74.04 -92.04 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.306 -0.872 . . . . 0.0 109.678 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -33.16 -47.25 0.18 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.78 -0.575 . . . . 0.0 111.086 -179.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.52 ' C ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -36.26 -56.54 0.76 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.246 -0.909 . . . . 0.0 111.071 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 11' ' ' LEU . 1.3 mt -98.92 -16.7 18.69 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.972 -1.08 . . . . 0.0 110.97 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -131.77 43.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.341 -0.849 . . . . 0.0 111.112 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mt-10 . . . . . 0 C--N 1.288 -2.067 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.982 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.981 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.43 0 CA-C-O 121.29 0.566 . . . . 0.0 110.046 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -55.51 -44.6 76.78 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.48 -1.387 . . . . 0.0 107.945 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.59 -23.21 17.74 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.434 -0.791 . . . . 0.0 110.779 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.981 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.0 -17.1 59.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.5 -62.93 1.27 Allowed 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.599 0.714 . . . . 0.0 109.508 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -47.44 -28.22 2.05 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.582 -0.699 . . . . 0.0 109.963 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -79.81 -90.11 0.06 Allowed 'General case' 0 C--O 1.205 -1.241 0 O-C-N 121.216 -0.928 . . . . 0.0 110.113 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.51 -47.56 0.16 Allowed 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.857 -0.527 . . . . 0.0 111.382 -179.009 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.2 tptt -36.6 -56.51 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.999 -1.063 . . . . 0.0 110.697 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.8 mp -96.18 -18.03 20.39 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.262 -0.899 . . . . 0.0 111.051 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.8 pt -132.09 44.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.322 -0.861 . . . . 0.0 110.97 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.288 -2.097 0 C-N-CA 119.086 -1.046 . . . . 0.0 111.099 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.964 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER . . . . . 0 C--O 1.202 -1.403 0 CA-C-O 121.334 0.588 . . . . 0.0 110.185 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.576 -1.328 . . . . 0.0 107.843 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.53 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.36 -20.16 19.99 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.388 -0.82 . . . . 0.0 110.901 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.964 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.99 -16.66 54.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.292 -0.88 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.591 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -89.71 -67.67 0.83 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.235 0.541 . . . . 0.0 109.934 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -48.32 -28.55 3.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.285 -0.884 . . . . 0.0 109.73 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -69.84 -94.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.298 -0.876 . . . . 0.0 110.217 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.578 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.8 mptt -32.85 -45.97 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.694 -0.629 . . . . 0.0 111.023 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 11' ' ' LEU . 2.6 tptt -36.32 -57.22 0.75 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.395 -0.816 . . . . 0.0 110.739 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 11' ' ' LEU . 2.0 mt -98.88 -16.42 18.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.72 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' ALA . 5.7 pt -131.49 44.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.31 -0.869 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.17 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.948 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp . . . . . 0 C--O 1.201 -1.485 0 CA-C-O 121.338 0.589 . . . . 0.0 110.004 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -43.96 79.5 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.46 -1.4 . . . . 0.0 107.732 178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.79 -21.87 18.44 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.396 -0.815 . . . . 0.0 111.039 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . 0.948 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.09 -17.31 55.38 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 109.452 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.26 -62.95 1.27 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.441 0.638 . . . . 0.0 109.527 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -48.56 -28.04 3.15 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.466 -0.771 . . . . 0.0 109.256 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -77.24 -89.42 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.277 -0.889 . . . . 0.0 109.978 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 27.6 mmtt -31.61 -51.11 0.2 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.845 -0.535 . . . . 0.0 111.186 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.1 ttpt -35.37 -55.95 0.64 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.418 -0.801 . . . . 0.0 111.078 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.9 mp -97.24 -19.64 18.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.017 -1.052 . . . . 0.0 111.293 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 8' ' ' ALA . 18.3 pt -131.89 46.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.27 -0.893 . . . . 0.0 110.526 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.592 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 3.3 mt-10 . . . . . 0 C--N 1.29 -1.988 0 CA-C-O 117.969 -1.015 . . . . 0.0 111.187 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.523 ' O ' ' N ' ' A' ' 3' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 122.042 0.925 . . . . 0.0 110.422 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.982 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.9 mp -44.91 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.026 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.504 -179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.523 ' N ' ' O ' ' A' ' 1' ' ' TYR . 0.2 OUTLIER -53.73 -49.29 68.45 Favored 'General case' 0 C--N 1.291 -1.966 0 O-C-N 120.629 -1.295 . . . . 0.0 109.007 178.48 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.57 ' O ' ' HB2' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -94.63 -15.29 24.13 Favored 'General case' 0 C--N 1.297 -1.691 0 C-N-CA 119.772 -0.771 . . . . 0.0 110.455 179.481 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.982 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -82.71 -15.31 52.38 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.27 -0.894 . . . . 0.0 108.942 179.435 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.8 OUTLIER -93.42 -64.92 1.03 Allowed 'General case' 0 C--N 1.301 -1.52 0 CA-C-O 121.387 0.613 . . . . 0.0 109.574 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.51 -31.49 35.61 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.297 -0.877 . . . . 0.0 109.422 179.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 4' ' ' ARG . . . -62.37 -93.59 0.0 OUTLIER 'General case' 0 C--O 1.202 -1.444 0 O-C-N 121.353 -0.842 . . . . 0.0 109.632 179.667 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.563 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -32.93 -49.84 0.25 Allowed 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.748 -0.595 . . . . 0.0 111.478 -179.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.542 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -36.19 -53.97 0.8 Allowed 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.225 -0.922 . . . . 0.0 110.915 -179.771 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.622 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 6.2 mp -98.58 -19.31 17.66 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 121.167 -0.958 . . . . 0.0 111.086 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.529 HG12 ' O ' ' A' ' 8' ' ' ALA . 9.6 pt -132.37 45.46 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 O-C-N 121.363 -0.836 . . . . 0.0 111.044 -178.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.563 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.3 mt-10 . . . . . 0 C--N 1.289 -2.037 0 CA-C-O 117.998 -1.001 . . . . 0.0 111.338 -178.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.493 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 1.6 m-85 . . . . . 0 N--CA 1.495 1.775 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.6 OUTLIER -52.01 -16.64 0.79 Allowed 'General case' 0 C--N 1.305 -1.35 0 O-C-N 120.467 -1.396 . . . . 0.0 110.267 179.419 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' NE ' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -59.03 -46.71 87.54 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.474 -1.391 . . . . 0.0 107.723 177.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.493 ' HG3' ' O ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -95.2 -16.94 22.16 Favored 'General case' 0 N--CA 1.484 1.247 0 O-C-N 121.33 -0.856 . . . . 0.0 111.113 179.188 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.806 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.93 -23.1 39.11 Favored 'General case' 0 C--N 1.297 -1.682 0 CA-C-O 122.035 0.921 . . . . 0.0 108.849 179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.552 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 3.0 t80 -93.99 -59.29 2.01 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.5 0.667 . . . . 0.0 109.542 -179.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.45 -28.14 7.74 Favored 'General case' 0 C--N 1.305 -1.346 0 O-C-N 121.422 -0.799 . . . . 0.0 109.667 179.208 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.541 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.45 -91.94 0.05 Allowed 'General case' 0 C--O 1.205 -1.268 0 O-C-N 121.216 -0.927 . . . . 0.0 109.956 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.585 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.28 -48.32 0.17 Allowed 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.761 -0.587 . . . . 0.0 111.643 -179.09 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.568 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -36.26 -55.49 0.8 Allowed 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.2 -0.937 . . . . 0.0 110.915 -179.784 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.0 mp -99.02 -19.27 17.35 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.203 -0.935 . . . . 0.0 111.194 -179.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.541 HG12 ' O ' ' A' ' 8' ' ' ALA . 14.7 pt -131.78 45.11 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.303 -1.446 0 O-C-N 121.353 -0.842 . . . . 0.0 111.052 -178.287 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.585 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.006 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.061 -178.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.3 m-85 . . . . . 0 N--CA 1.494 1.759 0 N-CA-C 108.947 -0.76 . . . . 0.0 108.947 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.04 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.5 mp -56.46 -15.94 5.02 Favored 'General case' 0 C--O 1.202 -1.434 0 O-C-N 120.253 -1.53 . . . . 0.0 110.108 179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 -41.89 85.76 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.329 -1.482 . . . . 0.0 107.433 177.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.542 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.66 -22.55 18.08 Favored 'General case' 0 C--N 1.309 -1.174 0 O-C-N 121.653 -0.654 . . . . 0.0 111.236 179.262 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.04 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.03 -20.21 45.87 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.137 -0.977 . . . . 0.0 109.679 -179.761 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.587 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -91.84 -60.02 1.97 Allowed 'General case' 0 C--N 1.295 -1.772 0 C-N-CA 120.344 -0.543 . . . . 0.0 110.325 -178.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.3 tttm -52.49 -27.14 15.06 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.163 -0.96 . . . . 0.0 110.093 179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.551 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.04 -94.6 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.294 0 O-C-N 121.108 -0.995 . . . . 0.0 110.462 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.566 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.39 -47.18 0.15 Allowed 'General case' 0 N--CA 1.486 1.339 0 O-C-N 121.615 -0.678 . . . . 0.0 111.614 -178.772 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.494 ' C ' ' O ' ' A' ' 9' ' ' LYS . 4.0 tptt -36.3 -55.44 0.81 Allowed 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.314 -0.866 . . . . 0.0 110.72 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.2 mp -99.02 -20.71 16.59 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.146 -0.971 . . . . 0.0 111.678 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.551 HG12 ' O ' ' A' ' 8' ' ' ALA . 47.8 pt -132.01 48.04 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.307 0 O-C-N 121.157 -0.964 . . . . 0.0 111.227 -178.52 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.566 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 2.1 mt-10 . . . . . 0 C--N 1.292 -1.922 0 CA-C-O 118.069 -0.967 . . . . 0.0 111.196 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.587 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.4 m-85 . . . . . 0 N--CA 1.493 1.706 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.949 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -52.91 -16.95 1.17 Allowed 'General case' 0 C--O 1.202 -1.445 0 O-C-N 120.512 -1.368 . . . . 0.0 110.228 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 mmp_? -57.99 -45.08 87.35 Favored 'General case' 0 C--N 1.291 -1.959 0 O-C-N 120.434 -1.416 . . . . 0.0 107.599 177.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.54 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -95.05 -19.73 19.92 Favored 'General case' 0 C--N 1.309 -1.184 0 O-C-N 121.421 -0.799 . . . . 0.0 111.155 179.178 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.949 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -80.12 -19.54 47.08 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.345 -0.847 . . . . 0.0 109.173 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.4 t80 -91.21 -60.91 1.78 Allowed 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 120.348 -0.541 . . . . 0.0 109.724 -179.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.68 -29.1 37.14 Favored 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.255 -0.903 . . . . 0.0 109.552 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.512 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -68.64 -94.03 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.407 -0.808 . . . . 0.0 110.158 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.582 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 3.1 mtpp -32.75 -47.93 0.18 Allowed 'General case' 0 N--CA 1.488 1.442 0 O-C-N 121.697 -0.627 . . . . 0.0 111.338 -179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.514 ' HG2' ' CD1' ' A' ' 11' ' ' LEU . 25.3 ttpt -36.24 -56.35 0.76 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.28 -0.887 . . . . 0.0 110.809 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 4.6 mp -98.7 -17.42 18.56 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.121 -0.987 . . . . 0.0 111.2 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 8' ' ' ALA . 7.2 pt -132.27 44.44 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.309 0 O-C-N 121.338 -0.851 . . . . 0.0 111.113 -178.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.582 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.8 mt-10 . . . . . 0 C--N 1.29 -2.01 0 CA-C-O 117.926 -1.035 . . . . 0.0 111.117 -178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 2.5 m-85 . . . . . 0 N--CA 1.494 1.748 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.028 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -55.51 -14.65 2.14 Favored 'General case' 0 C--N 1.306 -1.325 0 O-C-N 120.47 -1.394 . . . . 0.0 110.262 179.507 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.93 -42.23 97.77 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 177.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.532 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.76 -21.29 18.83 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 120.089 -0.645 . . . . 0.0 111.102 179.025 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.028 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.45 -22.62 43.9 Favored 'General case' 0 C--N 1.304 -1.4 0 O-C-N 121.067 -1.021 . . . . 0.0 109.126 -179.88 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.5 t80 -91.85 -64.27 1.14 Allowed 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.51 0.671 . . . . 0.0 109.255 -179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.3 tptt -46.2 -27.03 0.89 Allowed 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.369 -0.832 . . . . 0.0 109.872 179.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.505 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -80.83 -95.01 0.04 OUTLIER 'General case' 0 C--O 1.203 -1.342 0 O-C-N 121.25 -0.907 . . . . 0.0 110.22 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.92 -48.78 0.21 Allowed 'General case' 0 N--CA 1.484 1.238 0 O-C-N 121.802 -0.561 . . . . 0.0 111.528 -178.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 11' ' ' LEU . 11.4 tttt -36.4 -55.45 0.82 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.162 -0.961 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 5.9 mp -98.43 -17.51 18.75 Favored 'General case' 0 C--N 1.307 -1.278 0 O-C-N 121.001 -1.062 . . . . 0.0 111.128 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.505 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -132.35 44.17 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.334 0 O-C-N 121.403 -0.811 . . . . 0.0 111.03 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.5 mt-10 . . . . . 0 C--N 1.289 -2.038 0 CA-C-O 118.015 -0.993 . . . . 0.0 111.239 -178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.524 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.8 OUTLIER . . . . . 0 N--CA 1.495 1.803 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.994 HD23 ' CE1' ' A' ' 5' ' ' PHE . 0.9 OUTLIER -52.63 -17.35 1.25 Allowed 'General case' 0 C--O 1.201 -1.462 0 O-C-N 120.372 -1.455 . . . . 0.0 110.233 179.365 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? -57.45 -44.21 84.55 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 120.419 -1.426 . . . . 0.0 107.758 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.86 -20.82 19.12 Favored 'General case' 0 C--N 1.308 -1.239 0 C-N-CA 119.639 -0.824 . . . . 0.0 110.994 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.994 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -78.37 -18.93 54.4 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.238 -0.914 . . . . 0.0 109.263 179.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.606 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.5 OUTLIER -93.25 -56.63 2.88 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.403 0.621 . . . . 0.0 109.654 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -56.89 -30.02 63.51 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.491 -0.756 . . . . 0.0 109.865 179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.523 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -71.2 -91.59 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.319 0 O-C-N 121.265 -0.897 . . . . 0.0 110.017 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.571 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -33.31 -46.47 0.18 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 121.788 -0.57 . . . . 0.0 111.525 -179.22 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.504 ' C ' ' O ' ' A' ' 9' ' ' LYS . 3.8 mtpt -37.1 -55.16 0.97 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.001 -1.062 . . . . 0.0 110.545 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 3.8 mp -96.46 -19.62 19.01 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.23 -0.919 . . . . 0.0 110.882 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.523 HG12 ' O ' ' A' ' 8' ' ' ALA . 10.7 pt -132.35 46.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.28 0 O-C-N 121.396 -0.815 . . . . 0.0 111.071 -178.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.571 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.1 mt-10 . . . . . 0 C--N 1.288 -2.096 0 C-N-CA 119.204 -0.999 . . . . 0.0 111.174 -178.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.556 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 3.3 m-85 . . . . . 0 N--CA 1.495 1.791 0 N-CA-C 109.442 -0.577 . . . . 0.0 109.442 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.037 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp -56.5 -15.97 5.16 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 120.438 -1.414 . . . . 0.0 109.877 179.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.4 ' H ' ' HD2' ' A' ' 3' ' ' ARG . 0.0 OUTLIER -58.48 -41.67 85.79 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.423 -1.423 . . . . 0.0 107.379 177.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.539 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.84 -22.86 17.76 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 119.735 -0.786 . . . . 0.0 111.207 178.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.037 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.79 -19.71 47.94 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.242 -0.911 . . . . 0.0 109.742 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.59 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 2.6 t80 -93.23 -57.78 2.51 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.401 0.62 . . . . 0.0 109.976 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 ttpt -54.99 -28.1 49.24 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.466 -0.771 . . . . 0.0 109.664 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.513 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -74.04 -92.04 0.02 OUTLIER 'General case' 0 C--O 1.204 -1.293 0 O-C-N 121.306 -0.872 . . . . 0.0 109.678 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CB ' ' HG2' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -33.16 -47.25 0.18 Allowed 'General case' 0 N--CA 1.484 1.267 0 O-C-N 121.78 -0.575 . . . . 0.0 111.086 -179.422 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.52 ' C ' HD23 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -36.26 -56.54 0.76 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.246 -0.909 . . . . 0.0 111.071 179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.561 HD23 ' N ' ' A' ' 11' ' ' LEU . 1.3 mt -98.92 -16.7 18.69 Favored 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.972 -1.08 . . . . 0.0 110.97 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.0 pt -131.77 43.54 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.359 0 O-C-N 121.341 -0.849 . . . . 0.0 111.112 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.59 ' HG2' ' CB ' ' A' ' 9' ' ' LYS . 1.6 mt-10 . . . . . 0 C--N 1.288 -2.067 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.982 -178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.514 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 0.3 OUTLIER . . . . . 0 N--CA 1.494 1.771 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.981 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -50.9 -17.56 0.6 Allowed 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.147 -1.596 . . . . 0.0 110.046 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.403 ' N ' ' C ' ' A' ' 1' ' ' TYR . 8.7 mmp_? -55.51 -44.6 76.78 Favored 'General case' 0 C--N 1.294 -1.811 0 O-C-N 120.48 -1.387 . . . . 0.0 107.945 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 1' ' ' TYR . 0.0 OUTLIER -94.59 -23.21 17.74 Favored 'General case' 0 C--N 1.308 -1.2 0 O-C-N 121.434 -0.791 . . . . 0.0 110.779 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.981 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -76.0 -17.1 59.83 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.092 -1.005 . . . . 0.0 109.217 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.605 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.5 -62.93 1.27 Allowed 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.599 0.714 . . . . 0.0 109.508 -179.379 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 tttp -47.44 -28.22 2.05 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.582 -0.699 . . . . 0.0 109.963 179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.502 ' O ' ' C ' ' A' ' 9' ' ' LYS . . . -79.81 -90.11 0.06 Allowed 'General case' 0 C--O 1.205 -1.241 0 O-C-N 121.216 -0.928 . . . . 0.0 110.113 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.568 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 0.0 OUTLIER -32.51 -47.56 0.16 Allowed 'General case' 0 N--CA 1.485 1.277 0 O-C-N 121.857 -0.527 . . . . 0.0 111.382 -179.009 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' C ' ' O ' ' A' ' 9' ' ' LYS . 20.2 tptt -36.6 -56.51 0.81 Allowed 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.999 -1.063 . . . . 0.0 110.697 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.602 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 1.8 mp -96.18 -18.03 20.39 Favored 'General case' 0 C--N 1.305 -1.327 0 O-C-N 121.262 -0.899 . . . . 0.0 111.051 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 8' ' ' ALA . 6.8 pt -132.09 44.85 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.313 0 O-C-N 121.322 -0.861 . . . . 0.0 110.97 -178.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.568 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--N 1.288 -2.097 0 C-N-CA 119.086 -1.046 . . . . 0.0 111.099 -178.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.541 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 1.2 m-85 . . . . . 0 N--CA 1.494 1.734 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.964 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -52.34 -18.43 1.59 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 120.528 -1.357 . . . . 0.0 110.185 179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -57.16 -44.28 83.31 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 120.576 -1.328 . . . . 0.0 107.843 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.53 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.36 -20.16 19.99 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.388 -0.82 . . . . 0.0 110.901 179.03 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.964 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.99 -16.66 54.72 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.292 -0.88 . . . . 0.0 109.286 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.591 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.9 OUTLIER -89.71 -67.67 0.83 Allowed 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.235 0.541 . . . . 0.0 109.934 -178.824 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 tttp -48.32 -28.55 3.21 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.285 -0.884 . . . . 0.0 109.73 179.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.51 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -69.84 -94.02 0.01 OUTLIER 'General case' 0 C--O 1.204 -1.316 0 O-C-N 121.298 -0.876 . . . . 0.0 110.217 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.578 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 2.8 mptt -32.85 -45.97 0.14 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 121.694 -0.629 . . . . 0.0 111.023 -179.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.614 ' C ' HD23 ' A' ' 11' ' ' LEU . 2.6 tptt -36.32 -57.22 0.75 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.395 -0.816 . . . . 0.0 110.739 179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.65 HD23 ' N ' ' A' ' 11' ' ' LEU . 2.0 mt -98.88 -16.42 18.83 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 121.082 -1.011 . . . . 0.0 110.72 -179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 HG12 ' O ' ' A' ' 8' ' ' ALA . 5.7 pt -131.49 44.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.349 0 O-C-N 121.31 -0.869 . . . . 0.0 110.777 -178.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.578 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.289 -2.03 0 CA-C-O 118.023 -0.989 . . . . 0.0 111.17 -178.479 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.9 OUTLIER . . . . . 0 N--CA 1.495 1.793 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.948 HD23 ' CE1' ' A' ' 5' ' ' PHE . 1.4 mp -52.55 -17.95 1.5 Allowed 'General case' 0 C--O 1.201 -1.485 0 O-C-N 120.313 -1.492 . . . . 0.0 110.004 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.32 -43.96 79.5 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.46 -1.4 . . . . 0.0 107.732 178.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.536 ' HG2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -94.79 -21.87 18.44 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.396 -0.815 . . . . 0.0 111.039 179.022 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.948 ' CE1' HD23 ' A' ' 2' ' ' LEU . 0.0 OUTLIER -79.09 -17.31 55.38 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.209 -0.932 . . . . 0.0 109.452 179.907 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' HB2' ' O ' ' A' ' 2' ' ' LEU . 0.6 OUTLIER -93.26 -62.95 1.27 Allowed 'General case' 0 C--N 1.297 -1.677 0 CA-C-O 121.441 0.638 . . . . 0.0 109.527 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 ttmt -48.56 -28.04 3.15 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.466 -0.771 . . . . 0.0 109.256 179.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.553 ' O ' HG12 ' A' ' 12' ' ' ILE . . . -77.24 -89.42 0.04 OUTLIER 'General case' 0 C--O 1.204 -1.306 0 O-C-N 121.277 -0.889 . . . . 0.0 109.978 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.592 ' O ' ' CG ' ' A' ' 13' ' ' GLU . 27.6 mmtt -31.61 -51.11 0.2 Allowed 'General case' 0 N--CA 1.485 1.32 0 O-C-N 121.845 -0.535 . . . . 0.0 111.186 -179.178 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.497 ' C ' ' O ' ' A' ' 9' ' ' LYS . 21.1 ttpt -35.37 -55.95 0.64 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.418 -0.801 . . . . 0.0 111.078 -179.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.606 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 2.9 mp -97.24 -19.64 18.45 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.017 -1.052 . . . . 0.0 111.293 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.553 HG12 ' O ' ' A' ' 8' ' ' ALA . 18.3 pt -131.89 46.94 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 O-C-N 121.27 -0.893 . . . . 0.0 110.526 -178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.592 ' CG ' ' O ' ' A' ' 9' ' ' LYS . 3.3 mt-10 . . . . . 0 C--N 1.29 -1.988 0 CA-C-O 117.969 -1.015 . . . . 0.0 111.187 -178.543 . . . . . . . . 1 1 . 1 stop_ save_