data_1gea_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 1gea _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 ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 72.48 -110.77 3.3 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.58 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.51 -28.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.555 -0.968 . . . . 0.0 109.732 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.77 76.7 1.08 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.188 -0.945 . . . . 0.0 109.438 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.37 -144.08 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.086 -1.009 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 9' ' ' SER . 16.6 t70 -96.9 -58.33 2.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.31 -62.3 0.52 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.651 -0.656 . . . . 0.0 109.808 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.69 -50.66 24.33 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.046 -1.034 . . . . 0.0 109.444 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.533 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 37.7 t -48.85 -40.36 29.25 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.834 -1.166 . . . . 0.0 108.831 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 9' ' ' SER . 1.8 ptp180 -85.6 -27.28 25.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -83.24 -36.15 24.82 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -68.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.371 -0.831 . . . . 0.0 108.825 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 11' ' ' SER . 10.3 mttt -47.46 -50.47 22.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 109.519 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' LYS . 24.4 mt-30 -40.21 -35.69 0.43 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.487 -0.758 . . . . 0.0 109.486 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.2 mmt -49.02 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.35 -0.844 . . . . 0.0 109.35 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.52 -57.35 3.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.4 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.06 -52.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.776 -0.577 . . . . 0.0 109.507 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 44.8 mtmt . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.505 ' O ' ' HB3' ' A' ' 10' ' ' TYR . . . 72.4 -109.72 2.92 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.55 -27.81 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.961 . . . . 0.0 109.941 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.1 75.81 1.05 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.03 -1.043 . . . . 0.0 109.746 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.9 t -178.79 -144.49 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.037 -1.039 . . . . 0.0 109.719 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 3.9 t0 -96.62 -57.49 2.29 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.067 -1.021 . . . . 0.0 110.201 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.504 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -38.8 -66.64 0.26 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.377 -0.827 . . . . 0.0 109.76 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.07 -51.22 5.89 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.881 . . . . 0.0 109.348 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.542 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.5 t -48.17 -49.68 31.66 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 4.9 ptm180 -74.79 -23.58 58.52 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.71 3.1 55.19 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -101.59 -71.62 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 109.61 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.79 -48.4 4.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 109.662 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LYS . 21.1 mm100 -43.82 -47.6 8.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 109.481 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.8 mtt -44.29 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.01 -57.33 2.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.434 -0.791 . . . . 0.0 109.719 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -40.46 -51.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.519 -0.738 . . . . 0.0 109.907 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 15.7 mtmt . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.967 -1.083 . . . . 0.0 110.273 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 72.95 -109.43 2.8 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.7 -28.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.579 -0.954 . . . . 0.0 109.842 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.74 76.2 1.05 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.076 -1.015 . . . . 0.0 109.604 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.2 t -178.54 -143.29 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.077 -1.014 . . . . 0.0 109.485 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.8 t70 -97.97 -58.99 1.85 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.985 -1.072 . . . . 0.0 110.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.08 -63.48 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.519 -0.738 . . . . 0.0 109.922 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.08 -52.0 9.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.909 -1.119 . . . . 0.0 109.097 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 41.0 t -48.01 -51.12 25.3 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' SER . 6.0 ptm180 -74.85 -22.08 58.89 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.29 1.58 56.38 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -102.13 -72.86 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.6 mptt -45.04 -51.46 9.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.148 -0.97 . . . . 0.0 109.529 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 66.9 mm-40 -43.68 -34.95 1.62 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.851 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.7 mmt -45.56 -76.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.04 -58.81 2.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.398 -0.814 . . . . 0.0 109.463 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.18 -54.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.755 -0.591 . . . . 0.0 109.567 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.47 -110.67 3.46 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.583 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.52 -28.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.597 -0.943 . . . . 0.0 109.764 179.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.56 76.14 1.01 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.031 -1.043 . . . . 0.0 109.698 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.61 -141.16 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.058 -1.026 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' SER . 13.5 t70 -99.42 -60.84 1.45 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 110.191 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.66 -63.33 0.47 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.569 -0.707 . . . . 0.0 109.984 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.91 -51.35 9.78 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.934 -1.104 . . . . 0.0 109.203 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -49.41 -52.09 31.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.362 -0.836 . . . . 0.0 108.756 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.0 ptp180 -72.69 -22.35 60.92 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.38 0.43 57.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -108.58 -72.19 0.73 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 109.766 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' SER . 13.6 mmtt -38.9 -44.83 1.1 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.511 -0.743 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 71.4 mm-40 -43.41 -49.74 7.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.315 -0.866 . . . . 0.0 109.373 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.6 mmt -43.26 -73.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.683 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.01 -58.21 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.475 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.22 -54.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.733 -0.604 . . . . 0.0 109.494 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? . . . . . 0 N--CA 1.49 1.554 0 O-C-N 120.991 -1.068 . . . . 0.0 109.449 179.951 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 72.85 -110.95 3.33 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.578 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -37.31 -29.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.763 -0.846 . . . . 0.0 109.618 179.276 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.59 76.23 1.06 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.172 -0.955 . . . . 0.0 109.486 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 13.0 t -178.51 -142.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.004 -1.06 . . . . 0.0 109.46 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' C ' ' A' ' 9' ' ' SER . 11.8 t70 -98.69 -59.64 1.7 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.993 -1.067 . . . . 0.0 110.172 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.81 -65.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.543 -0.723 . . . . 0.0 109.661 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.82 -50.54 5.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.088 -1.007 . . . . 0.0 109.847 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.6 t -50.7 -30.54 14.04 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.61 -28.49 20.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.72 -46.65 8.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.113 -0.992 . . . . 0.0 108.33 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -53.09 -58.64 6.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.461 -0.774 . . . . 0.0 109.312 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 11' ' ' SER . 12.3 mmmt -46.11 -50.64 15.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.356 -0.84 . . . . 0.0 109.765 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 69.4 mm-40 -41.96 -39.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 109.697 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.7 mmt -45.79 -76.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.945 . . . . 0.0 109.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.38 -57.35 3.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.488 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -54.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.722 -0.612 . . . . 0.0 109.556 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 25.9 mtmt . . . . . 0 N--CA 1.49 1.543 0 O-C-N 120.996 -1.065 . . . . 0.0 109.508 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.258 0.551 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.529 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 77.45 -106.34 2.22 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -36.92 -30.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.633 -0.922 . . . . 0.0 109.403 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.06 75.01 0.93 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.237 -0.914 . . . . 0.0 109.039 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 12.4 t -173.98 -141.66 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.21 -0.931 . . . . 0.0 109.054 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.7 t70 -99.98 -59.31 1.74 Allowed 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.902 -1.124 . . . . 0.0 109.878 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -38.37 -63.03 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.529 -0.732 . . . . 0.0 110.037 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.79 -51.09 9.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 109.167 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 44.4 t -49.08 -52.15 27.41 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.2 ptm85 -73.59 -21.83 60.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.1 -0.99 57.88 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -94.47 -70.01 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.3 mptt -42.95 -49.02 5.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.0 -45.38 7.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.24 -0.912 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.464 ' CE ' ' CZ ' ' A' ' 13' ' ' TYR . 2.6 mmt -43.82 -73.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.857 . . . . 0.0 109.792 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.33 -57.77 2.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.373 -0.829 . . . . 0.0 109.514 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.98 -53.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.475 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 23.9 mtmt . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.518 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 73.1 -109.66 2.88 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.584 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -39.05 -27.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.58 -0.953 . . . . 0.0 109.874 179.453 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.6 m-85 -109.12 77.31 1.06 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.981 -1.074 . . . . 0.0 109.681 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.5 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.111 -0.993 . . . . 0.0 108.945 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -100.84 -51.8 3.47 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.936 -1.103 . . . . 0.0 109.831 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -42.57 -61.4 1.24 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 109.494 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.31 -51.57 18.87 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.79 -1.194 . . . . 0.0 108.945 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 43.9 t -48.15 -52.25 21.47 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.7 ptp180 -73.33 -23.72 60.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.6 7.81 28.06 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 17' ' ' MET . 0.8 OUTLIER -110.24 -75.47 0.62 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.218 -0.926 . . . . 0.0 109.173 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -47.77 -48.84 29.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.842 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 17' ' ' MET . 13.0 pt20 -46.94 -46.37 21.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.033 -1.042 . . . . 0.0 109.636 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.521 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.94 -71.99 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.265 -0.897 . . . . 0.0 109.766 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.53 -56.39 2.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.472 -0.768 . . . . 0.0 109.823 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -40.78 -54.17 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.544 -0.723 . . . . 0.0 109.663 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? . . . . . 0 N--CA 1.492 1.636 0 O-C-N 120.954 -1.091 . . . . 0.0 109.973 -179.589 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.53 -111.19 3.73 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.584 -0.95 . . . . 0.0 109.702 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.12 76.38 1.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.081 -1.012 . . . . 0.0 109.6 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.0 t -179.01 -145.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.099 -1.001 . . . . 0.0 109.419 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' SER . 4.8 t0 -96.55 -56.94 2.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.091 -1.006 . . . . 0.0 109.89 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.05 -66.09 0.28 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.707 . . . . 0.0 109.479 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.01 -51.74 7.56 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.488 179.625 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 47.7 t -48.64 -30.82 5.85 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.146 -0.971 . . . . 0.0 109.24 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 9' ' ' SER . 1.6 ptm180 -90.57 -28.89 18.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.387 -0.821 . . . . 0.0 110.156 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.11 -45.0 9.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 108.633 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttt180 -44.37 -64.34 0.7 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.268 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' GLN . 12.0 mptt -43.31 -49.94 6.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.954 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.6 mm100 -42.9 -52.32 5.18 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.62 -71.87 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.427 -0.796 . . . . 0.0 109.606 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.24 -58.13 2.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -0.867 . . . . 0.0 109.56 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -55.13 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.758 -0.589 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 26.9 mtmt . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 71.0 -111.38 3.68 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -36.99 -30.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.789 -0.83 . . . . 0.0 109.677 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -107.66 75.71 1.02 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.198 -0.938 . . . . 0.0 109.854 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.9 t -176.43 -141.09 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.128 -0.982 . . . . 0.0 109.039 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.1 t70 -100.1 -60.69 1.48 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 110.112 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -38.73 -64.38 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.501 -0.749 . . . . 0.0 110.154 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.4 -48.6 5.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.002 -1.061 . . . . 0.0 109.628 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 28.3 t -53.98 -57.6 10.39 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.637 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.0 ptp180 -64.65 -23.63 67.32 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.43 4.82 47.83 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 3.2 mmp_? -106.06 -73.25 0.69 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.8 mmtt -43.86 -59.89 2.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.4 -0.812 . . . . 0.0 109.04 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' MET . 3.6 pt20 -43.72 -37.12 2.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.408 -0.808 . . . . 0.0 109.695 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.491 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 ttm -41.23 -69.37 0.14 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.826 . . . . 0.0 110.149 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.69 -55.76 2.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.344 -0.848 . . . . 0.0 109.957 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.5 t -41.26 -54.62 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.541 -0.724 . . . . 0.0 109.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 120.92 -1.112 . . . . 0.0 110.098 -179.474 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 5' ' ' ILE . 5.5 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.556 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 48.54 -98.14 0.02 OUTLIER Glycine 0 N--CA 1.493 2.487 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.579 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.5 -28.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.367 -1.078 . . . . 0.0 109.229 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.68 76.65 1.03 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.304 -0.872 . . . . 0.0 109.3 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.556 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.3 t -179.06 -141.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.977 -1.077 . . . . 0.0 109.489 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' SER . 21.0 t0 -99.5 -58.75 1.86 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.985 -1.072 . . . . 0.0 110.165 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.99 -64.04 0.43 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.834 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.582 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.974 -1.079 . . . . 0.0 109.148 179.688 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 35.1 t -47.57 -50.48 23.83 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 8.8 ptm180 -75.28 -22.71 57.55 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.64 -1.87 58.3 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.605 -0.684 . . . . 0.0 109.266 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -92.28 -71.81 0.62 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -0.981 . . . . 0.0 109.204 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.6 mptp? -42.33 -38.19 1.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.311 -0.868 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mt-30 -42.48 -44.55 4.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.0 109.526 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 23.7 mmt -44.42 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.485 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.6 -57.81 2.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.13 -54.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.689 -0.632 . . . . 0.0 109.493 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 36.2 mtmt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.102 -0.998 . . . . 0.0 109.563 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.3 -110.39 3.12 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.41 -28.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.707 -0.878 . . . . 0.0 109.81 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -109.09 76.43 1.0 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.111 -0.993 . . . . 0.0 109.561 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.71 -140.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.073 -1.017 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.1 t0 -100.12 -60.25 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.948 -1.095 . . . . 0.0 110.089 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.73 -63.68 0.45 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.59 -0.694 . . . . 0.0 109.915 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.44 -52.16 8.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.979 -1.075 . . . . 0.0 109.205 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.6 t -48.59 -50.77 31.05 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -74.87 -22.57 58.59 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.01 -2.13 58.44 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' TYR . 4.8 ttt85 -92.59 -71.41 0.65 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.1 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ARG . 2.5 mptt -42.18 -38.19 1.66 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.0 109.727 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 62.8 mt-30 -43.02 -48.54 6.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mtt -43.95 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.17 -57.28 3.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.0 109.402 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.03 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.694 -0.629 . . . . 0.0 109.452 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.1 -110.37 3.12 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.894 . . . . 0.0 109.84 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.09 76.31 1.0 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.083 -1.011 . . . . 0.0 109.622 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.56 -140.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.011 . . . . 0.0 109.31 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 9' ' ' SER . 11.2 t70 -100.45 -60.78 1.46 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.933 -1.105 . . . . 0.0 110.155 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.71 -63.1 0.49 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.554 -0.716 . . . . 0.0 109.946 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.96 -51.66 9.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.941 -1.099 . . . . 0.0 109.138 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 41.9 t -48.71 -51.66 27.56 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 8.4 ptp180 -73.95 -21.92 59.84 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.35 0.0 57.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttp85 -95.85 -70.71 0.7 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.629 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.7 -47.09 5.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LYS . 26.4 mm100 -43.16 -47.48 6.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mtt -44.41 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.28 -57.06 2.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.0 -53.26 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.743 -0.598 . . . . 0.0 109.636 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.031 . . . . 0.0 109.828 -179.81 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.18 -109.73 2.9 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.575 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.74 -28.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.926 . . . . 0.0 109.788 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.71 76.12 1.05 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.631 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.8 t -178.63 -143.66 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.036 -1.04 . . . . 0.0 109.466 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.1 t70 -97.8 -58.67 1.93 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 0.0 110.1 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -38.06 -64.14 0.43 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.553 -0.717 . . . . 0.0 109.885 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.585 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.61 -52.12 8.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.944 -1.097 . . . . 0.0 109.124 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.2 t -48.13 -50.67 27.82 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -75.16 -22.79 57.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.98 0.61 56.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.7 ttp-105 -103.22 -73.27 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.163 -0.961 . . . . 0.0 109.479 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.04 -55.21 10.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 13' ' ' TYR . 11.9 pt20 -43.5 -36.19 1.94 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 109.427 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.464 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 11.3 mtt -44.63 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.91 -58.65 2.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.0 109.473 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.71 -53.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.775 -0.578 . . . . 0.0 109.561 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.097 -1.002 . . . . 0.0 109.709 -179.852 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.08 -110.47 3.16 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.38 -28.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.637 -0.92 . . . . 0.0 109.849 179.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -108.97 76.39 1.01 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.037 -1.04 . . . . 0.0 109.593 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.53 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.09 -1.006 . . . . 0.0 109.284 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 9' ' ' SER . 19.7 t70 -99.92 -59.67 1.67 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.994 -1.066 . . . . 0.0 110.085 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.87 -63.8 0.44 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.498 -0.751 . . . . 0.0 109.883 -179.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.7 -51.74 8.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.968 -1.083 . . . . 0.0 109.185 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.529 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 43.5 t -48.8 -51.08 31.25 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.0 ptm180 -74.31 -21.89 59.51 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.5 2.19 55.96 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -109.56 -75.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 109.453 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.5 -49.56 7.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 109.385 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -44.01 -37.43 2.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.271 -0.893 . . . . 0.0 109.403 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.465 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 mmt -41.01 -64.34 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.183 -0.948 . . . . 0.0 110.231 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -37.83 -54.55 1.25 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.483 -0.761 . . . . 0.0 110.447 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.4 t -38.89 -53.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.57 -0.706 . . . . 0.0 109.597 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HE2' ' OE1' ' A' ' 16' ' ' GLN . 40.7 mtmt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.509 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.6 -110.78 3.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.14 -28.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.671 -0.9 . . . . 0.0 109.802 179.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -108.23 76.64 1.05 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.041 -1.037 . . . . 0.0 109.573 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.7 t -179.37 -143.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.047 -1.033 . . . . 0.0 109.491 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.1 t0 -97.98 -59.46 1.76 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.021 -1.049 . . . . 0.0 110.046 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -37.29 -63.48 0.44 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 0.0 109.893 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.23 -52.13 13.06 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.023 -1.048 . . . . 0.0 109.446 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.7 t -50.0 -40.85 45.76 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.892 -1.13 . . . . 0.0 109.0 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 2.0 ptp180 -85.03 -24.86 27.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.335 -0.853 . . . . 0.0 109.586 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -83.69 -34.25 24.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 0.0 108.897 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 6.3 ttt-85 -51.84 -72.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.484 -0.76 . . . . 0.0 109.093 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.01 -51.0 14.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 109.36 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.5 mt-30 -43.37 -36.26 1.84 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.32 -0.863 . . . . 0.0 109.345 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 15.2 mmt -42.54 -72.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.378 -0.826 . . . . 0.0 109.739 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.96 -58.74 2.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 0.0 109.527 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -39.13 -54.93 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.739 -0.601 . . . . 0.0 109.505 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.01 -1.056 . . . . 0.0 109.46 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.523 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 73.04 -111.19 3.41 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.614 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.89 -27.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.405 -1.056 . . . . 0.0 109.655 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.25 77.25 1.13 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.52 -144.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.127 -0.983 . . . . 0.0 109.21 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 26.5 t0 -96.51 -57.31 2.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.037 -1.04 . . . . 0.0 109.544 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.6 -62.21 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.643 -0.661 . . . . 0.0 109.734 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.614 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.99 -50.61 26.94 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -48.8 -40.71 30.13 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.833 -1.167 . . . . 0.0 108.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.1 ptp180 -83.88 -25.75 29.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.316 -0.865 . . . . 0.0 110.051 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.96 -28.27 21.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.0 109.096 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' TYR . 12.4 ttt85 -70.24 -63.34 1.1 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.271 -0.893 . . . . 0.0 109.56 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -42.14 -46.91 4.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.316 -0.865 . . . . 0.0 109.856 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 83.4 mm-40 -43.49 -38.43 2.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.289 -0.882 . . . . 0.0 109.341 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' ALA . 19.2 mmt -43.7 -72.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.6 -57.83 2.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 0.0 109.791 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.05 -54.5 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 109.533 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.101 -0.999 . . . . 0.0 109.445 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.154 0.502 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 76.04 -104.77 1.86 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -36.88 -30.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.94 . . . . 0.0 109.482 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.67 75.34 0.96 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 178.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 11.2 t -175.82 -142.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.106 -0.996 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' SER . 17.1 t70 -99.25 -59.7 1.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.942 -1.099 . . . . 0.0 110.034 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -38.22 -63.07 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.544 -0.723 . . . . 0.0 110.014 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.79 -51.63 9.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.903 -1.123 . . . . 0.0 109.17 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.4 t -48.14 -52.3 21.18 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.7 ptm180 -73.75 -22.08 59.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.11 -0.24 57.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.62 -0.675 . . . . 0.0 109.185 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.9 ttt180 -99.2 -72.22 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.548 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -44.47 -50.43 9.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 68.4 mm-40 -44.91 -34.65 2.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.31 -0.869 . . . . 0.0 109.437 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.9 mmt -45.59 -75.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.0 109.717 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.22 -57.68 2.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 109.384 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -39.34 -53.77 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.726 -0.609 . . . . 0.0 109.496 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.1 0.476 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 73.07 -104.43 1.56 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.16 -29.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.577 -0.955 . . . . 0.0 109.63 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -109.37 76.3 0.99 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.221 -0.925 . . . . 0.0 109.271 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.8 t -177.63 -140.17 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.137 -0.977 . . . . 0.0 109.425 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.5 t0 -100.77 -60.1 1.58 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.956 -1.09 . . . . 0.0 110.135 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.54 -63.21 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.568 -0.707 . . . . 0.0 109.964 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -52.64 8.1 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.986 -1.071 . . . . 0.0 109.099 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.558 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 39.9 t -47.37 -51.13 20.56 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -74.89 -22.29 58.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 108.68 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.86 -0.37 57.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.644 -0.66 . . . . 0.0 109.221 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.5 ttt180 -95.37 -70.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.558 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.17 -44.39 3.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.733 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mm-40 -43.11 -46.47 5.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 57.1 mtt -44.14 -75.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.11 -57.6 2.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.73 -53.5 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.817 -0.552 . . . . 0.0 109.531 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 0.0 109.644 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 121.31 0.576 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.526 ' CA ' HG23 ' A' ' 7' ' ' THR . . . 76.22 -106.49 2.16 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.97 -31.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.919 . . . . 0.0 109.379 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -109.42 75.14 0.93 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.08 179.088 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.526 HG23 ' CA ' ' A' ' 4' ' ' GLY . 11.9 t -174.0 -141.17 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.198 -0.939 . . . . 0.0 109.006 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' C ' ' A' ' 9' ' ' SER . 16.3 t70 -100.17 -59.59 1.68 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.909 -1.119 . . . . 0.0 109.989 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.47 -63.03 0.53 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.024 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.46 -51.04 9.08 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.891 -1.131 . . . . 0.0 109.145 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.5 t -48.71 -54.31 15.36 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -70.92 -21.82 62.32 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -91.63 4.35 52.88 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.6 -76.51 0.57 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -41.64 -44.9 3.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 109.705 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 69.5 mm-40 -51.09 -59.27 4.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.198 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.7 mtt -42.34 -70.92 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 109.764 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.87 -56.44 2.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.492 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.44 -54.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.409 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 13.3 mtmt . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.057 -1.027 . . . . 0.0 109.389 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 76.76 -106.16 2.14 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.77 -31.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.698 -0.884 . . . . 0.0 109.342 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -109.16 75.02 0.93 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.265 -0.897 . . . . 0.0 109.005 178.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 12.2 t -174.05 -141.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.168 -0.957 . . . . 0.0 109.03 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.9 t70 -99.86 -59.55 1.69 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.917 -1.114 . . . . 0.0 109.917 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.12 0.51 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.534 -0.729 . . . . 0.0 109.994 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.7 -51.12 9.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.904 -1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 40.6 t -49.44 -50.76 39.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 108.78 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.2 ptm180 -74.75 -22.36 58.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.858 . . . . 0.0 108.92 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.89 -6.45 57.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.563 -0.711 . . . . 0.0 109.286 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' TYR . 6.1 ttt180 -96.11 -68.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.737 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 11' ' ' SER . 1.2 mmtt -40.44 -51.56 2.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.447 -0.783 . . . . 0.0 109.605 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.83 -35.95 3.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -42.83 -72.97 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 109.819 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.32 -58.75 2.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 109.638 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.83 -54.42 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.793 -0.567 . . . . 0.0 109.535 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.2 ptpt . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.572 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.16 -111.44 3.92 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 108.383 -1.887 . . . . 0.0 108.383 -179.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.37 -27.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.931 . . . . 0.0 109.679 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.65 77.14 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.059 -1.026 . . . . 0.0 109.524 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.1 t -178.96 -144.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.025 -1.047 . . . . 0.0 109.398 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.2 t70 -97.32 -56.95 2.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.064 -1.023 . . . . 0.0 109.858 -179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.2 -65.56 0.33 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.61 -0.681 . . . . 0.0 109.567 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.57 -52.84 6.02 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.202 -0.936 . . . . 0.0 109.482 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 46.0 t -47.16 -32.56 4.42 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 109.164 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.47 -28.32 18.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.697 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.85 -44.63 10.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.195 -0.94 . . . . 0.0 108.805 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.3 ttt85 -42.43 -62.93 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.843 . . . . 0.0 109.601 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 11' ' ' SER . 6.2 mptt -45.87 -50.77 14.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.885 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.1 mm100 -42.66 -38.56 2.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.299 -0.876 . . . . 0.0 109.554 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 29.7 mmt -46.97 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.242 -0.911 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.28 -56.92 2.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.465 -0.772 . . . . 0.0 109.506 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.2 -52.89 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.697 -0.627 . . . . 0.0 109.541 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.077 -1.014 . . . . 0.0 109.834 -179.836 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 75.72 -107.15 2.26 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.698 -1.761 . . . . 0.0 108.698 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.565 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -35.7 -32.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.791 -0.829 . . . . 0.0 109.369 179.469 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -107.74 75.07 0.99 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.181 179.228 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 13.4 t -175.68 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 109.118 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.3 t70 -97.81 -58.78 1.91 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.002 -1.061 . . . . 0.0 109.756 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -36.49 -62.56 0.45 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.658 -0.651 . . . . 0.0 109.885 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -48.79 -46.43 41.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.621 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -54.73 -31.3 58.12 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.839 -1.163 . . . . 0.0 108.889 -179.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.25 -28.72 18.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.426 -0.796 . . . . 0.0 109.852 179.589 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -92.31 -56.25 3.12 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.564 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -39.8 -59.56 1.15 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 11' ' ' SER . 11.0 mmmt -47.03 -52.19 15.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.358 -0.839 . . . . 0.0 109.525 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.0 mm100 -43.28 -39.13 2.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 109.455 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.3 mmt -43.78 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 109.823 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.34 -57.99 2.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.553 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.37 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.741 -0.6 . . . . 0.0 109.488 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 18.9 mtmt . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 70.04 -110.98 3.56 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.74 -28.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.613 -0.934 . . . . 0.0 109.75 179.302 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.71 76.2 1.01 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.073 -1.017 . . . . 0.0 109.515 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.0 t -177.14 -141.31 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.081 -1.012 . . . . 0.0 109.307 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' C ' ' A' ' 9' ' ' SER . 37.8 t70 -99.56 -59.93 1.63 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.935 -1.103 . . . . 0.0 110.137 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.509 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.92 -63.74 0.45 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.537 -0.727 . . . . 0.0 109.891 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.82 -51.27 9.68 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.973 -1.079 . . . . 0.0 109.133 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.9 t -48.93 -51.0 32.63 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 3.3 ptp180 -74.4 -22.39 59.2 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.79 -0.43 57.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.694 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 ttp180 -94.1 -68.76 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.09 -48.28 4.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 109.608 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' MET . 25.4 mm100 -44.35 -37.27 3.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -0.889 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 2.8 mtt -41.78 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.439 -0.788 . . . . 0.0 110.067 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.85 -54.72 2.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.992 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -42.07 -55.05 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 109.786 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.07 . . . . 0.0 110.146 -179.441 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 75.5 -110.01 2.94 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.617 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.01 -11.83 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.272 . . . . 0.0 110.672 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.27 78.87 1.2 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.283 -1.51 . . . . 0.0 108.934 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 8' ' ' ASP . 3.6 t -179.04 -144.62 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.027 -1.046 . . . . 0.0 109.589 -179.358 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.532 ' N ' ' OG1' ' A' ' 7' ' ' THR . 6.7 t0 -91.01 -51.6 5.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.65 -66.82 0.26 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.428 -0.795 . . . . 0.0 109.423 179.778 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.617 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.97 -44.67 20.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.741 179.805 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 26.7 t -55.51 -33.45 63.75 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.87 -1.143 . . . . 0.0 108.934 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 4.8 ptm180 -88.51 -28.33 20.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.904 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -93.62 -57.46 2.57 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.663 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.09 -59.38 1.01 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.377 0.608 . . . . 0.0 109.426 179.013 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' SER . 5.3 mmmt -46.46 -52.46 13.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 60.6 mm-40 -44.13 -35.74 2.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.2 mmt -44.73 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.238 -0.914 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.69 -58.62 2.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.92 -53.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.699 -0.626 . . . . 0.0 109.51 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 0.0 109.585 179.937 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.16 -110.47 3.15 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.602 -1.799 . . . . 0.0 108.602 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.654 -0.909 . . . . 0.0 109.793 179.547 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -109.06 76.12 0.99 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.09 -1.006 . . . . 0.0 109.583 179.507 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.09 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.084 -1.01 . . . . 0.0 109.37 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.5 t0 -100.35 -61.26 1.39 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.873 -1.142 . . . . 0.0 110.164 -179.408 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.45 -63.33 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.591 -0.693 . . . . 0.0 109.959 -179.548 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.88 -51.24 9.82 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.999 -1.063 . . . . 0.0 109.084 179.798 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 41.4 t -48.97 -51.84 28.22 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' SER . 9.8 ptm180 -73.65 -22.32 60.01 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.78 -0.94 57.86 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.7 ttt-85 -93.15 -68.17 0.82 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 109.617 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.83 -45.92 3.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 109.706 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 23.8 mm100 -44.48 -39.68 4.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 109.241 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mmt -41.6 -69.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.784 . . . . 0.0 109.986 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.56 -57.72 1.77 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.833 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -38.94 -54.91 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.723 -0.611 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.3 m -165.73 164.38 18.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -168.79 70.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 110.01 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.522 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 72.48 -110.77 3.3 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.51 -28.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.555 -0.968 . . . . 0.0 109.732 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -107.77 76.7 1.08 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.188 -0.945 . . . . 0.0 109.438 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.522 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.37 -144.08 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.086 -1.009 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' O ' ' C ' ' A' ' 9' ' ' SER . 16.6 t70 -96.9 -58.33 2.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.49 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.31 -62.3 0.52 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.651 -0.656 . . . . 0.0 109.808 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.69 -50.66 24.33 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.046 -1.034 . . . . 0.0 109.444 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.533 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 37.7 t -48.85 -40.36 29.25 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.834 -1.166 . . . . 0.0 108.831 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.49 ' HG2' ' O ' ' A' ' 9' ' ' SER . 1.8 ptp180 -85.6 -27.28 25.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -83.24 -36.15 24.82 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -68.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.371 -0.831 . . . . 0.0 108.825 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 11' ' ' SER . 10.3 mttt -47.46 -50.47 22.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 109.519 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' C ' ' O ' ' A' ' 15' ' ' LYS . 24.4 mt-30 -40.21 -35.69 0.43 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.487 -0.758 . . . . 0.0 109.486 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.2 mmt -49.02 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.35 -0.844 . . . . 0.0 109.35 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.52 -57.35 3.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.4 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.06 -52.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.776 -0.577 . . . . 0.0 109.507 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 44.8 mtmt -72.79 54.39 0.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -171.78 156.89 4.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.594 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.84 67.62 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.146 -0.971 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.505 ' O ' ' HB3' ' A' ' 10' ' ' TYR . . . 72.4 -109.72 2.92 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.599 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.55 -27.81 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.961 . . . . 0.0 109.941 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.1 75.81 1.05 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.03 -1.043 . . . . 0.0 109.746 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.467 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.9 t -178.79 -144.49 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.037 -1.039 . . . . 0.0 109.719 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 3.9 t0 -96.62 -57.49 2.29 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.067 -1.021 . . . . 0.0 110.201 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.504 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -38.8 -66.64 0.26 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.377 -0.827 . . . . 0.0 109.76 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.07 -51.22 5.89 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.881 . . . . 0.0 109.348 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.542 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.5 t -48.17 -49.68 31.66 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 4.9 ptm180 -74.79 -23.58 58.52 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.568 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.71 3.1 55.19 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -101.59 -71.62 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 109.61 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.79 -48.4 4.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 109.662 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 15' ' ' LYS . 21.1 mm100 -43.82 -47.6 8.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 109.481 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.8 mtt -44.29 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.506 ' O ' ' NT ' ' A' ' 21' ' ' LYN . . . -42.01 -57.33 2.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.434 -0.791 . . . . 0.0 109.719 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -40.46 -51.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.519 -0.738 . . . . 0.0 109.907 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 15.7 mtmt -83.67 17.79 2.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.967 -1.083 . . . . 0.0 110.273 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.506 ' NT ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.6 m -165.45 162.96 19.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -166.7 70.21 0.11 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.103 -0.998 . . . . 0.0 110.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 72.95 -109.43 2.8 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.7 -28.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.579 -0.954 . . . . 0.0 109.842 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.74 76.2 1.05 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.076 -1.015 . . . . 0.0 109.604 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.507 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.2 t -178.54 -143.29 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.077 -1.014 . . . . 0.0 109.485 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.8 t70 -97.97 -58.99 1.85 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.985 -1.072 . . . . 0.0 110.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.515 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.08 -63.48 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.519 -0.738 . . . . 0.0 109.922 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.08 -52.0 9.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.909 -1.119 . . . . 0.0 109.097 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 41.0 t -48.01 -51.12 25.3 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.515 ' HG2' ' O ' ' A' ' 9' ' ' SER . 6.0 ptm180 -74.85 -22.08 58.89 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.29 1.58 56.38 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -102.13 -72.86 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.6 mptt -45.04 -51.46 9.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.148 -0.97 . . . . 0.0 109.529 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 66.9 mm-40 -43.68 -34.95 1.62 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.851 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.7 mmt -45.56 -76.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.04 -58.81 2.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.398 -0.814 . . . . 0.0 109.463 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.18 -54.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.755 -0.591 . . . . 0.0 109.567 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 40.2 mtmt -77.0 -155.41 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.455 ' HG3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' SER . 21.4 t-160 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.465 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.8 m 58.69 154.12 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.345 -0.847 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 2' ' ' SER . 7.5 t70 178.52 75.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.058 -1.026 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.47 -110.67 3.46 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.52 -28.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.597 -0.943 . . . . 0.0 109.764 179.365 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.56 76.14 1.01 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.031 -1.043 . . . . 0.0 109.698 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.61 -141.16 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.058 -1.026 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.457 ' O ' ' C ' ' A' ' 9' ' ' SER . 13.5 t70 -99.42 -60.84 1.45 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 110.191 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.66 -63.33 0.47 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.569 -0.707 . . . . 0.0 109.984 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.583 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.91 -51.35 9.78 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.934 -1.104 . . . . 0.0 109.203 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -49.41 -52.09 31.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.362 -0.836 . . . . 0.0 108.756 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.503 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.0 ptp180 -72.69 -22.35 60.92 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.583 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.38 0.43 57.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -108.58 -72.19 0.73 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 109.766 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.466 ' HG2' ' O ' ' A' ' 11' ' ' SER . 13.6 mmtt -38.9 -44.83 1.1 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.511 -0.743 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 71.4 mm-40 -43.41 -49.74 7.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.315 -0.866 . . . . 0.0 109.373 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.447 ' O ' ' HG2' ' A' ' 21' ' ' LYN . 22.6 mmt -43.26 -73.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.683 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.01 -58.21 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.475 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.22 -54.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.733 -0.604 . . . . 0.0 109.494 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.8 mtmp? -83.41 47.74 1.3 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.991 -1.068 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.447 ' HG2' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.407 ' CG ' ' H ' ' A' ' 2' ' ' SER . 75.4 t60 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -160.98 158.62 28.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.415 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -167.03 70.96 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 109.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 72.85 -110.95 3.33 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.578 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -37.31 -29.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.763 -0.846 . . . . 0.0 109.618 179.276 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.59 76.23 1.06 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.172 -0.955 . . . . 0.0 109.486 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 13.0 t -178.51 -142.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.004 -1.06 . . . . 0.0 109.46 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' C ' ' A' ' 9' ' ' SER . 11.8 t70 -98.69 -59.64 1.7 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.993 -1.067 . . . . 0.0 110.172 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.81 -65.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.543 -0.723 . . . . 0.0 109.661 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.578 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.82 -50.54 5.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.088 -1.007 . . . . 0.0 109.847 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.6 t -50.7 -30.54 14.04 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.553 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.61 -28.49 20.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.72 -46.65 8.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.113 -0.992 . . . . 0.0 108.33 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -53.09 -58.64 6.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.461 -0.774 . . . . 0.0 109.312 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 11' ' ' SER . 12.3 mmmt -46.11 -50.64 15.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.356 -0.84 . . . . 0.0 109.765 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 69.4 mm-40 -41.96 -39.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 109.697 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.7 mmt -45.79 -76.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.945 . . . . 0.0 109.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.38 -57.35 3.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.488 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -54.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.722 -0.612 . . . . 0.0 109.556 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 25.9 mtmt -68.91 -160.34 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.996 -1.065 . . . . 0.0 109.508 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.408 ' HD3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 49.3 p-80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' PHE . 69.3 m 50.97 25.3 2.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.114 -0.991 . . . . 0.0 109.486 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -124.45 52.26 1.53 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 110.361 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 77.45 -106.34 2.22 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -36.92 -30.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.633 -0.922 . . . . 0.0 109.403 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.06 75.01 0.93 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.237 -0.914 . . . . 0.0 109.039 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.529 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 12.4 t -173.98 -141.66 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.21 -0.931 . . . . 0.0 109.054 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.468 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.7 t70 -99.98 -59.31 1.74 Allowed 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.902 -1.124 . . . . 0.0 109.878 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -38.37 -63.03 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.529 -0.732 . . . . 0.0 110.037 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.585 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.79 -51.09 9.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 109.167 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 44.4 t -49.08 -52.15 27.41 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.506 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.2 ptm85 -73.59 -21.83 60.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.58 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.1 -0.99 57.88 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.653 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -94.47 -70.01 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.3 mptt -42.95 -49.02 5.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.0 -45.38 7.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.24 -0.912 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.464 ' CE ' ' CZ ' ' A' ' 13' ' ' TYR . 2.6 mmt -43.82 -73.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.857 . . . . 0.0 109.792 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.33 -57.77 2.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.373 -0.829 . . . . 0.0 109.514 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.98 -53.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.475 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.431 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 23.9 mtmt -86.5 45.5 1.25 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -170.48 158.74 6.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.223 -0.923 . . . . 0.0 109.445 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -171.25 72.82 0.05 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.018 . . . . 0.0 109.611 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 73.1 -109.66 2.88 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.584 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -39.05 -27.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.58 -0.953 . . . . 0.0 109.874 179.453 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.6 m-85 -109.12 77.31 1.06 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.981 -1.074 . . . . 0.0 109.681 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.518 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.5 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.111 -0.993 . . . . 0.0 108.945 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -100.84 -51.8 3.47 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.936 -1.103 . . . . 0.0 109.831 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -42.57 -61.4 1.24 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 109.494 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.584 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.31 -51.57 18.87 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.79 -1.194 . . . . 0.0 108.945 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 43.9 t -48.15 -52.25 21.47 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.7 ptp180 -73.33 -23.72 60.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.6 7.81 28.06 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.464 ' O ' ' HB2' ' A' ' 17' ' ' MET . 0.8 OUTLIER -110.24 -75.47 0.62 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.218 -0.926 . . . . 0.0 109.173 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HD3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -47.77 -48.84 29.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.842 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HG3' ' N ' ' A' ' 17' ' ' MET . 13.0 pt20 -46.94 -46.37 21.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.033 -1.042 . . . . 0.0 109.636 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.521 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.94 -71.99 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.265 -0.897 . . . . 0.0 109.766 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -40.53 -56.39 2.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.472 -0.768 . . . . 0.0 109.823 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -40.78 -54.17 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.544 -0.723 . . . . 0.0 109.663 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -84.7 15.05 4.09 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.954 -1.091 . . . . 0.0 109.973 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.52 ' CG ' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' SER . 20.9 t-160 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.475 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 30.9 m 57.32 158.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.524 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -177.35 74.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.09 -1.006 . . . . 0.0 109.792 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.53 -111.19 3.73 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.584 -0.95 . . . . 0.0 109.702 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.12 76.38 1.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.081 -1.012 . . . . 0.0 109.6 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.479 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.0 t -179.01 -145.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.099 -1.001 . . . . 0.0 109.419 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' SER . 4.8 t0 -96.55 -56.94 2.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.091 -1.006 . . . . 0.0 109.89 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.05 -66.09 0.28 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.707 . . . . 0.0 109.479 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.01 -51.74 7.56 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.488 179.625 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 47.7 t -48.64 -30.82 5.85 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.146 -0.971 . . . . 0.0 109.24 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.533 ' CG ' ' O ' ' A' ' 9' ' ' SER . 1.6 ptm180 -90.57 -28.89 18.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.387 -0.821 . . . . 0.0 110.156 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.11 -45.0 9.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 108.633 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.526 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttt180 -44.37 -64.34 0.7 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.268 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' GLN . 12.0 mptt -43.31 -49.94 6.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.954 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.6 mm100 -42.9 -52.32 5.18 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.62 -71.87 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.427 -0.796 . . . . 0.0 109.606 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.24 -58.13 2.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -0.867 . . . . 0.0 109.56 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -55.13 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.758 -0.589 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 26.9 mtmt -80.47 -164.42 0.7 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.458 ' HG3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.439 ' O ' ' OG ' ' A' ' 2' ' ' SER . 11.1 t-160 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.47 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 24.3 m -171.83 163.04 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.67 73.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.187 -0.945 . . . . 0.0 109.718 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 71.0 -111.38 3.68 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -36.99 -30.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.789 -0.83 . . . . 0.0 109.677 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -107.66 75.71 1.02 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.198 -0.938 . . . . 0.0 109.854 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.9 t -176.43 -141.09 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.128 -0.982 . . . . 0.0 109.039 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.1 t70 -100.1 -60.69 1.48 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 110.112 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -38.73 -64.38 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.501 -0.749 . . . . 0.0 110.154 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.4 -48.6 5.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.002 -1.061 . . . . 0.0 109.628 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 28.3 t -53.98 -57.6 10.39 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.637 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.511 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.0 ptp180 -64.65 -23.63 67.32 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.565 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.43 4.82 47.83 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.575 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 3.2 mmp_? -106.06 -73.25 0.69 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.8 mmtt -43.86 -59.89 2.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.4 -0.812 . . . . 0.0 109.04 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' MET . 3.6 pt20 -43.72 -37.12 2.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.408 -0.808 . . . . 0.0 109.695 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.491 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 ttm -41.23 -69.37 0.14 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.826 . . . . 0.0 110.149 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -41.69 -55.76 2.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.344 -0.848 . . . . 0.0 109.957 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.5 t -41.26 -54.62 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.541 -0.724 . . . . 0.0 109.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -80.93 9.33 6.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.92 -1.112 . . . . 0.0 110.098 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.57 ' CE1' ' OD2' ' A' ' 3' ' ' ASP . 21.6 p-80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 1' ' ' HIS . 14.6 m -175.16 26.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.57 ' OD2' ' CE1' ' A' ' 1' ' ' HIS . 5.5 m-20 -123.69 52.2 1.45 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.887 -1.133 . . . . 0.0 110.271 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.556 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 48.54 -98.14 0.02 OUTLIER Glycine 0 N--CA 1.493 2.487 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.579 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.5 -28.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.367 -1.078 . . . . 0.0 109.229 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.68 76.65 1.03 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.304 -0.872 . . . . 0.0 109.3 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.556 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.3 t -179.06 -141.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.977 -1.077 . . . . 0.0 109.489 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' SER . 21.0 t0 -99.5 -58.75 1.86 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.985 -1.072 . . . . 0.0 110.165 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.526 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.99 -64.04 0.43 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.834 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.582 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.974 -1.079 . . . . 0.0 109.148 179.688 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 35.1 t -47.57 -50.48 23.83 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 8.8 ptm180 -75.28 -22.71 57.55 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.582 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.64 -1.87 58.3 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.605 -0.684 . . . . 0.0 109.266 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -92.28 -71.81 0.62 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -0.981 . . . . 0.0 109.204 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.6 mptp? -42.33 -38.19 1.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.311 -0.868 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mt-30 -42.48 -44.55 4.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.0 109.526 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 23.7 mmt -44.42 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.485 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.6 -57.81 2.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.13 -54.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.689 -0.632 . . . . 0.0 109.493 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' HB3' ' A' ' 21' ' ' LYN . 36.2 mtmt -76.89 -164.3 0.42 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.102 -0.998 . . . . 0.0 109.563 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.453 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 5.0 m -162.54 162.93 27.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.489 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -175.15 73.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.153 -0.967 . . . . 0.0 109.761 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.3 -110.39 3.12 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.41 -28.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.707 -0.878 . . . . 0.0 109.81 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -109.09 76.43 1.0 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.111 -0.993 . . . . 0.0 109.561 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.71 -140.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.073 -1.017 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.1 t0 -100.12 -60.25 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.948 -1.095 . . . . 0.0 110.089 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.517 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.73 -63.68 0.45 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.59 -0.694 . . . . 0.0 109.915 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.44 -52.16 8.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.979 -1.075 . . . . 0.0 109.205 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.6 t -48.59 -50.77 31.05 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -74.87 -22.57 58.59 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.898 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.01 -2.13 58.44 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' TYR . 4.8 ttt85 -92.59 -71.41 0.65 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.1 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ARG . 2.5 mptt -42.18 -38.19 1.66 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.0 109.727 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 62.8 mt-30 -43.02 -48.54 6.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mtt -43.95 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.17 -57.28 3.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.0 109.402 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.03 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.694 -0.629 . . . . 0.0 109.452 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -82.78 48.3 1.32 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.5 m -162.26 163.01 28.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.532 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -174.95 73.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.16 -0.962 . . . . 0.0 109.717 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.1 -110.37 3.12 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.894 . . . . 0.0 109.84 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.09 76.31 1.0 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.083 -1.011 . . . . 0.0 109.622 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.473 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.56 -140.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.011 . . . . 0.0 109.31 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 9' ' ' SER . 11.2 t70 -100.45 -60.78 1.46 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.933 -1.105 . . . . 0.0 110.155 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.52 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.71 -63.1 0.49 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.554 -0.716 . . . . 0.0 109.946 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.588 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.96 -51.66 9.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.941 -1.099 . . . . 0.0 109.138 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 41.9 t -48.71 -51.66 27.56 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 8.4 ptp180 -73.95 -21.92 59.84 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.35 0.0 57.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttp85 -95.85 -70.71 0.7 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.629 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.7 -47.09 5.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LYS . 26.4 mm100 -43.16 -47.48 6.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mtt -44.41 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.528 ' HA ' ' CG ' ' A' ' 21' ' ' LYN . . . -42.28 -57.06 2.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.0 -53.26 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.743 -0.598 . . . . 0.0 109.636 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 2.7 mtmp? -80.99 48.32 1.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.031 . . . . 0.0 109.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.528 ' CG ' ' HA ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 3.9 m -166.0 163.49 18.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.901 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -167.25 70.42 0.1 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.917 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.18 -109.73 2.9 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.575 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.74 -28.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.926 . . . . 0.0 109.788 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.71 76.12 1.05 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.631 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.497 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.8 t -178.63 -143.66 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.036 -1.04 . . . . 0.0 109.466 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.1 t70 -97.8 -58.67 1.93 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 0.0 110.1 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -38.06 -64.14 0.43 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.553 -0.717 . . . . 0.0 109.885 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.585 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.61 -52.12 8.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.944 -1.097 . . . . 0.0 109.124 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.2 t -48.13 -50.67 27.82 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.512 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -75.16 -22.79 57.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.585 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.98 0.61 56.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.7 ttp-105 -103.22 -73.27 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.163 -0.961 . . . . 0.0 109.479 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.04 -55.21 10.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' NE2' ' HA ' ' A' ' 13' ' ' TYR . 11.9 pt20 -43.5 -36.19 1.94 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 109.427 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.464 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 11.3 mtt -44.63 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.91 -58.65 2.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.0 109.473 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.71 -53.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.775 -0.578 . . . . 0.0 109.561 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -80.88 49.49 1.22 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.097 -1.002 . . . . 0.0 109.709 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.464 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.0 t60 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.462 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 19.7 m -153.98 161.51 41.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.489 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -175.58 73.81 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.166 -0.959 . . . . 0.0 109.767 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.08 -110.47 3.16 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.38 -28.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.637 -0.92 . . . . 0.0 109.849 179.492 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -108.97 76.39 1.01 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.037 -1.04 . . . . 0.0 109.593 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.47 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.53 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.09 -1.006 . . . . 0.0 109.284 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' O ' ' C ' ' A' ' 9' ' ' SER . 19.7 t70 -99.92 -59.67 1.67 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.994 -1.066 . . . . 0.0 110.085 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -37.87 -63.8 0.44 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.498 -0.751 . . . . 0.0 109.883 -179.621 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.592 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.7 -51.74 8.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.968 -1.083 . . . . 0.0 109.185 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.529 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 43.5 t -48.8 -51.08 31.25 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.514 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.0 ptm180 -74.31 -21.89 59.51 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.584 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.5 2.19 55.96 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -109.56 -75.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 109.453 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.5 -49.56 7.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 109.385 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.485 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -44.01 -37.43 2.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.271 -0.893 . . . . 0.0 109.403 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.465 ' O ' ' C ' ' A' ' 18' ' ' ALA . 8.5 mmt -41.01 -64.34 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.183 -0.948 . . . . 0.0 110.231 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -37.83 -54.55 1.25 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.483 -0.761 . . . . 0.0 110.447 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.485 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.4 t -38.89 -53.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.57 -0.706 . . . . 0.0 109.597 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' HE2' ' OE1' ' A' ' 16' ' ' GLN . 40.7 mtmt -70.22 -162.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.509 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' SER . 77.7 t60 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.328 0.585 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.465 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 1.7 m 58.6 154.02 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 0.0 109.472 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.465 ' HB2' ' O ' ' A' ' 2' ' ' SER . 9.5 t70 178.29 76.06 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.973 -1.079 . . . . 0.0 109.732 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.514 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.6 -110.78 3.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.14 -28.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.671 -0.9 . . . . 0.0 109.802 179.436 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -108.23 76.64 1.05 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.041 -1.037 . . . . 0.0 109.573 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.7 t -179.37 -143.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.047 -1.033 . . . . 0.0 109.491 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.1 t0 -97.98 -59.46 1.76 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.021 -1.049 . . . . 0.0 110.046 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -37.29 -63.48 0.44 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 0.0 109.893 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.23 -52.13 13.06 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.023 -1.048 . . . . 0.0 109.446 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.7 t -50.0 -40.85 45.76 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.892 -1.13 . . . . 0.0 109.0 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 2.0 ptp180 -85.03 -24.86 27.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.335 -0.853 . . . . 0.0 109.586 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -83.69 -34.25 24.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 0.0 108.897 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 6.3 ttt-85 -51.84 -72.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.484 -0.76 . . . . 0.0 109.093 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.01 -51.0 14.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 109.36 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.5 mt-30 -43.37 -36.26 1.84 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.32 -0.863 . . . . 0.0 109.345 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 15.2 mmt -42.54 -72.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.378 -0.826 . . . . 0.0 109.739 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.96 -58.74 2.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 0.0 109.527 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -39.13 -54.93 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.739 -0.601 . . . . 0.0 109.505 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.12 -152.59 0.13 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.01 -1.056 . . . . 0.0 109.46 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.415 ' HA ' ' HD2' ' A' ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -172.05 158.27 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.228 -0.92 . . . . 0.0 109.584 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -160.41 68.25 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.141 -0.974 . . . . 0.0 109.552 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.523 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 73.04 -111.19 3.41 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.614 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -40.89 -27.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.405 -1.056 . . . . 0.0 109.655 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.25 77.25 1.13 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.52 -144.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.127 -0.983 . . . . 0.0 109.21 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 26.5 t0 -96.51 -57.31 2.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.037 -1.04 . . . . 0.0 109.544 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.498 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.6 -62.21 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.643 -0.661 . . . . 0.0 109.734 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.614 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.99 -50.61 26.94 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -48.8 -40.71 30.13 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.833 -1.167 . . . . 0.0 108.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.1 ptp180 -83.88 -25.75 29.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.316 -0.865 . . . . 0.0 110.051 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.96 -28.27 21.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.0 109.096 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.529 ' N ' ' O ' ' A' ' 10' ' ' TYR . 12.4 ttt85 -70.24 -63.34 1.1 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.271 -0.893 . . . . 0.0 109.56 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -42.14 -46.91 4.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.316 -0.865 . . . . 0.0 109.856 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 83.4 mm-40 -43.49 -38.43 2.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.289 -0.882 . . . . 0.0 109.341 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' ALA . 19.2 mmt -43.7 -72.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.6 -57.83 2.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 0.0 109.791 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.05 -54.5 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 109.533 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -77.46 -158.08 0.11 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.101 -0.999 . . . . 0.0 109.445 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 2' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' A' ' 1' ' ' HIS . 21.5 m -174.93 30.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.549 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -124.14 51.01 1.6 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.007 -1.058 . . . . 0.0 110.67 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 76.04 -104.77 1.86 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -36.88 -30.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.94 . . . . 0.0 109.482 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.67 75.34 0.96 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 178.817 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 11.2 t -175.82 -142.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.106 -0.996 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' O ' ' C ' ' A' ' 9' ' ' SER . 17.1 t70 -99.25 -59.7 1.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.942 -1.099 . . . . 0.0 110.034 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -38.22 -63.07 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.544 -0.723 . . . . 0.0 110.014 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.79 -51.63 9.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.903 -1.123 . . . . 0.0 109.17 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.4 t -48.14 -52.3 21.18 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.514 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.7 ptm180 -73.75 -22.08 59.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.571 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.11 -0.24 57.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.62 -0.675 . . . . 0.0 109.185 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.9 ttt180 -99.2 -72.22 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.548 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -44.47 -50.43 9.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 68.4 mm-40 -44.91 -34.65 2.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.31 -0.869 . . . . 0.0 109.437 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.9 mmt -45.59 -75.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.0 109.717 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.22 -57.68 2.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 109.384 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -39.34 -53.77 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.726 -0.609 . . . . 0.0 109.496 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? -81.46 49.01 1.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 109.536 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.43 ' O ' ' HB2' ' A' ' 2' ' ' SER . 16.8 t-160 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.468 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 49.7 m 60.64 67.18 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.608 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -143.62 61.01 1.38 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.758 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 73.07 -104.43 1.56 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.58 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -38.16 -29.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.577 -0.955 . . . . 0.0 109.63 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -109.37 76.3 0.99 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.221 -0.925 . . . . 0.0 109.271 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 8.8 t -177.63 -140.17 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.137 -0.977 . . . . 0.0 109.425 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.475 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.5 t0 -100.77 -60.1 1.58 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.956 -1.09 . . . . 0.0 110.135 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.51 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.54 -63.21 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.568 -0.707 . . . . 0.0 109.964 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -52.64 8.1 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.986 -1.071 . . . . 0.0 109.099 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.558 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 39.9 t -47.37 -51.13 20.56 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.51 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -74.89 -22.29 58.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 108.68 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.86 -0.37 57.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.644 -0.66 . . . . 0.0 109.221 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.5 ttt180 -95.37 -70.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.558 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.17 -44.39 3.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.733 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mm-40 -43.11 -46.47 5.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 57.1 mtt -44.14 -75.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.11 -57.6 2.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.73 -53.5 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.817 -0.552 . . . . 0.0 109.531 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -78.58 51.14 1.03 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.455 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.528 ' HB3' ' CB ' ' A' ' 6' ' ' PHE . 9.6 t-160 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' HIS . 50.4 m 62.03 40.25 12.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.212 -0.93 . . . . 0.0 109.68 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -132.6 56.62 1.83 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.094 -1.004 . . . . 0.0 109.952 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.526 ' CA ' HG23 ' A' ' 7' ' ' THR . . . 76.22 -106.49 2.16 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.97 -31.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.919 . . . . 0.0 109.379 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.528 ' CB ' ' HB3' ' A' ' 1' ' ' HIS . 1.0 OUTLIER -109.42 75.14 0.93 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.08 179.088 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.526 HG23 ' CA ' ' A' ' 4' ' ' GLY . 11.9 t -174.0 -141.17 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.198 -0.939 . . . . 0.0 109.006 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' C ' ' A' ' 9' ' ' SER . 16.3 t70 -100.17 -59.59 1.68 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.909 -1.119 . . . . 0.0 109.989 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.513 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.47 -63.03 0.53 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.024 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.586 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.46 -51.04 9.08 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.891 -1.131 . . . . 0.0 109.145 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.5 t -48.71 -54.31 15.36 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -70.92 -21.82 62.32 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.576 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -91.63 4.35 52.88 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.6 -76.51 0.57 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -41.64 -44.9 3.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 109.705 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 69.5 mm-40 -51.09 -59.27 4.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.198 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.7 mtt -42.34 -70.92 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 109.764 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.87 -56.44 2.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.492 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.463 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.44 -54.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.409 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 13.3 mtmt -89.85 -169.04 2.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.057 -1.027 . . . . 0.0 109.389 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.466 ' HB2' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 2' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' A' ' 1' ' ' HIS . 6.3 m -178.23 31.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.566 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.13 53.33 1.62 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.051 -1.031 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.536 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 76.76 -106.16 2.14 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.77 -31.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.698 -0.884 . . . . 0.0 109.342 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' HB3' ' N ' ' A' ' 1' ' ' HIS . 0.6 OUTLIER -109.16 75.02 0.93 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.265 -0.897 . . . . 0.0 109.005 178.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.536 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 12.2 t -174.05 -141.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.168 -0.957 . . . . 0.0 109.03 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.9 t70 -99.86 -59.55 1.69 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.917 -1.114 . . . . 0.0 109.917 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.12 0.51 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.534 -0.729 . . . . 0.0 109.994 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.59 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.7 -51.12 9.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.904 -1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 40.6 t -49.44 -50.76 39.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 108.78 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.2 ptm180 -74.75 -22.36 58.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.858 . . . . 0.0 108.92 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.89 -6.45 57.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.563 -0.711 . . . . 0.0 109.286 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' TYR . 6.1 ttt180 -96.11 -68.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.737 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 11' ' ' SER . 1.2 mmtt -40.44 -51.56 2.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.447 -0.783 . . . . 0.0 109.605 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.83 -35.95 3.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -42.83 -72.97 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 109.819 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.32 -58.75 2.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 109.638 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.83 -54.42 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.793 -0.567 . . . . 0.0 109.535 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.2 ptpt -81.42 49.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.448 ' HG2' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' SER . 73.5 t60 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 1' ' ' HIS . 58.9 m 57.17 159.52 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -176.9 74.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.132 -0.98 . . . . 0.0 109.737 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 69.16 -111.44 3.92 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 108.383 -1.887 . . . . 0.0 108.383 -179.339 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.37 -27.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.931 . . . . 0.0 109.679 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.65 77.14 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.059 -1.026 . . . . 0.0 109.524 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.489 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.1 t -178.96 -144.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.025 -1.047 . . . . 0.0 109.398 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.2 t70 -97.32 -56.95 2.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.064 -1.023 . . . . 0.0 109.858 -179.661 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.2 -65.56 0.33 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.61 -0.681 . . . . 0.0 109.567 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.585 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.57 -52.84 6.02 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.202 -0.936 . . . . 0.0 109.482 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 46.0 t -47.16 -32.56 4.42 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 109.164 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.47 -28.32 18.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.697 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.85 -44.63 10.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.195 -0.94 . . . . 0.0 108.805 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.3 ttt85 -42.43 -62.93 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.843 . . . . 0.0 109.601 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 11' ' ' SER . 6.2 mptt -45.87 -50.77 14.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.885 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.1 mm100 -42.66 -38.56 2.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.299 -0.876 . . . . 0.0 109.554 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.455 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 29.7 mmt -46.97 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.242 -0.911 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' A' ' 21' ' ' LYN . . . -42.28 -56.92 2.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.465 -0.772 . . . . 0.0 109.506 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.2 -52.89 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.697 -0.627 . . . . 0.0 109.541 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 2.0 mtmp? -79.71 49.48 1.04 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.077 -1.014 . . . . 0.0 109.834 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.464 ' HB2' ' O ' ' A' ' 1' ' ' HIS . 71.1 m 60.2 48.67 8.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.154 -0.966 . . . . 0.0 109.599 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -136.01 58.55 1.74 Allowed 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.073 -1.017 . . . . 0.0 109.702 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 75.72 -107.15 2.26 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.698 -1.761 . . . . 0.0 108.698 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.565 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -35.7 -32.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.791 -0.829 . . . . 0.0 109.369 179.469 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -107.74 75.07 0.99 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.181 179.228 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 13.4 t -175.68 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 109.118 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 14.3 t70 -97.81 -58.78 1.91 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.002 -1.061 . . . . 0.0 109.756 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.508 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -36.49 -62.56 0.45 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.658 -0.651 . . . . 0.0 109.885 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -48.79 -46.43 41.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.621 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -54.73 -31.3 58.12 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.839 -1.163 . . . . 0.0 108.889 -179.689 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.25 -28.72 18.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.426 -0.796 . . . . 0.0 109.852 179.589 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -92.31 -56.25 3.12 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.564 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -39.8 -59.56 1.15 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' HG2' ' O ' ' A' ' 11' ' ' SER . 11.0 mmmt -47.03 -52.19 15.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.358 -0.839 . . . . 0.0 109.525 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.461 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.0 mm100 -43.28 -39.13 2.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 109.455 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.3 mmt -43.78 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 109.823 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.34 -57.99 2.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.553 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.37 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.741 -0.6 . . . . 0.0 109.488 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 21' ' ' LYN . 18.9 mtmt -85.93 -168.45 2.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.516 ' CD ' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.465 ' O ' ' O ' ' A' ' 2' ' ' SER . 22.5 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' ASP . 1.8 m 58.68 154.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.367 -0.833 . . . . 0.0 109.488 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.467 ' HB2' ' O ' ' A' ' 2' ' ' SER . 6.7 t70 178.31 75.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.75 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 70.04 -110.98 3.56 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.74 -28.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.613 -0.934 . . . . 0.0 109.75 179.302 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.71 76.2 1.01 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.073 -1.017 . . . . 0.0 109.515 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.468 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 10.0 t -177.14 -141.31 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.081 -1.012 . . . . 0.0 109.307 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.481 ' O ' ' C ' ' A' ' 9' ' ' SER . 37.8 t70 -99.56 -59.93 1.63 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.935 -1.103 . . . . 0.0 110.137 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.509 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.92 -63.74 0.45 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.537 -0.727 . . . . 0.0 109.891 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.588 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.82 -51.27 9.68 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.973 -1.079 . . . . 0.0 109.133 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.9 t -48.93 -51.0 32.63 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.509 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 3.3 ptp180 -74.4 -22.39 59.2 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.79 -0.43 57.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.694 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 ttp180 -94.1 -68.76 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.09 -48.28 4.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 109.608 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.435 ' O ' ' C ' ' A' ' 17' ' ' MET . 25.4 mm100 -44.35 -37.27 3.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -0.889 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.435 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 2.8 mtt -41.78 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.439 -0.788 . . . . 0.0 110.067 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.517 ' HA ' ' CG ' ' A' ' 21' ' ' LYN . . . -40.85 -54.72 2.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.992 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -42.07 -55.05 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 109.786 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -67.75 -6.43 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.07 . . . . 0.0 110.146 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . 0.517 ' CG ' ' HA ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 2' ' ' SER . 18.5 t-160 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 10.0 m 60.3 166.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.89 . . . . 0.0 109.504 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -177.36 74.36 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.974 . . . . 0.0 110.147 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.531 ' O ' ' CG2' ' A' ' 7' ' ' THR . . . 75.5 -110.01 2.94 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.617 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -56.01 -11.83 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.272 . . . . 0.0 110.672 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -108.27 78.87 1.2 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.283 -1.51 . . . . 0.0 108.934 179.498 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.532 ' OG1' ' N ' ' A' ' 8' ' ' ASP . 3.6 t -179.04 -144.62 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.027 -1.046 . . . . 0.0 109.589 -179.358 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' N ' ' OG1' ' A' ' 7' ' ' THR . 6.7 t0 -91.01 -51.6 5.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.65 -66.82 0.26 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.428 -0.795 . . . . 0.0 109.423 179.778 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.617 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.97 -44.67 20.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.741 179.805 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 26.7 t -55.51 -33.45 63.75 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.87 -1.143 . . . . 0.0 108.934 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.517 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 4.8 ptm180 -88.51 -28.33 20.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.904 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -93.62 -57.46 2.57 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.663 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.09 -59.38 1.01 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.377 0.608 . . . . 0.0 109.426 179.013 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 11' ' ' SER . 5.3 mmmt -46.46 -52.46 13.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 60.6 mm-40 -44.13 -35.74 2.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.2 mmt -44.73 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.238 -0.914 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.69 -58.62 2.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.92 -53.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.699 -0.626 . . . . 0.0 109.51 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -80.25 50.05 1.2 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 0.0 109.585 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.277 0.561 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.3 m -162.74 162.99 27.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.527 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -174.81 73.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.733 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.515 ' O ' ' N ' ' A' ' 6' ' ' PHE . . . 73.16 -110.47 3.15 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.602 -1.799 . . . . 0.0 108.602 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.654 -0.909 . . . . 0.0 109.793 179.547 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -109.06 76.12 0.99 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.09 -1.006 . . . . 0.0 109.583 179.507 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.474 ' CG2' ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.09 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.084 -1.01 . . . . 0.0 109.37 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.491 ' O ' ' C ' ' A' ' 9' ' ' SER . 8.5 t0 -100.35 -61.26 1.39 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.873 -1.142 . . . . 0.0 110.164 -179.408 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.45 -63.33 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.591 -0.693 . . . . 0.0 109.959 -179.548 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.88 -51.24 9.82 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.999 -1.063 . . . . 0.0 109.084 179.798 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 41.4 t -48.97 -51.84 28.22 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HG2' ' O ' ' A' ' 9' ' ' SER . 9.8 ptm180 -73.65 -22.32 60.01 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.89 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.578 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.78 -0.94 57.86 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.7 ttt-85 -93.15 -68.17 0.82 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 109.617 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.83 -45.92 3.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 109.706 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 23.8 mm100 -44.48 -39.68 4.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 109.241 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mmt -41.6 -69.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.784 . . . . 0.0 109.986 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.56 -57.72 1.77 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.833 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -38.94 -54.91 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.723 -0.611 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -83.65 -163.32 0.74 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.043 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.48 -110.77 3.3 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.741 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.51 -28.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.555 -0.968 . . . . 0.0 109.732 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.77 76.7 1.08 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.188 -0.945 . . . . 0.0 109.438 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.37 -144.08 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.086 -1.009 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 7' ' ' THR . 16.6 t70 -96.9 -58.33 2.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.31 -62.3 0.52 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.651 -0.656 . . . . 0.0 109.808 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.69 -50.66 24.33 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.046 -1.034 . . . . 0.0 109.444 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.533 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 37.7 t -48.85 -40.36 29.25 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.834 -1.166 . . . . 0.0 108.831 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 9' ' ' SER . 1.8 ptp180 -85.6 -27.28 25.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -83.24 -36.15 24.82 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -68.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.371 -0.831 . . . . 0.0 108.825 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 11' ' ' SER . 10.3 mttt -47.46 -50.47 22.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 109.519 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.4 mt-30 -40.21 -35.69 0.43 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.487 -0.758 . . . . 0.0 109.486 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.2 mmt -49.02 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.35 -0.844 . . . . 0.0 109.35 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.52 -57.35 3.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.4 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.06 -52.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.776 -0.577 . . . . 0.0 109.507 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 44.8 mtmt . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.009 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.4 -109.72 2.92 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.55 -27.81 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.961 . . . . 0.0 109.941 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.1 75.81 1.05 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.03 -1.043 . . . . 0.0 109.746 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.009 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.9 t -178.79 -144.49 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.037 -1.039 . . . . 0.0 109.719 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 3.9 t0 -96.62 -57.49 2.29 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.067 -1.021 . . . . 0.0 110.201 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -38.8 -66.64 0.26 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.377 -0.827 . . . . 0.0 109.76 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.07 -51.22 5.89 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.881 . . . . 0.0 109.348 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.542 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.5 t -48.17 -49.68 31.66 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' SER . 4.9 ptm180 -74.79 -23.58 58.52 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.71 3.1 55.19 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -101.59 -71.62 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 109.61 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.79 -48.4 4.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 109.662 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 21.1 mm100 -43.82 -47.6 8.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 109.481 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.8 mtt -44.29 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.01 -57.33 2.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.434 -0.791 . . . . 0.0 109.719 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -40.46 -51.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.519 -0.738 . . . . 0.0 109.907 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 15.7 mtmt . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.967 -1.083 . . . . 0.0 110.273 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.032 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.95 -109.43 2.8 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.736 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.7 -28.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.579 -0.954 . . . . 0.0 109.842 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.74 76.2 1.05 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.076 -1.015 . . . . 0.0 109.604 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -178.54 -143.29 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.077 -1.014 . . . . 0.0 109.485 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.8 t70 -97.97 -58.99 1.85 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.985 -1.072 . . . . 0.0 110.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.08 -63.48 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.519 -0.738 . . . . 0.0 109.922 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.08 -52.0 9.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.909 -1.119 . . . . 0.0 109.097 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 41.0 t -48.01 -51.12 25.3 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 6.0 ptm180 -74.85 -22.08 58.89 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.29 1.58 56.38 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -102.13 -72.86 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.6 mptt -45.04 -51.46 9.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.148 -0.97 . . . . 0.0 109.529 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 66.9 mm-40 -43.68 -34.95 1.62 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.851 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.7 mmt -45.56 -76.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.04 -58.81 2.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.398 -0.814 . . . . 0.0 109.463 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.18 -54.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.755 -0.591 . . . . 0.0 109.567 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.47 -110.67 3.46 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.583 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.52 -28.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.597 -0.943 . . . . 0.0 109.764 179.365 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.56 76.14 1.01 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.031 -1.043 . . . . 0.0 109.698 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.61 -141.16 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.058 -1.026 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 7' ' ' THR . 13.5 t70 -99.42 -60.84 1.45 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 110.191 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.66 -63.33 0.47 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.569 -0.707 . . . . 0.0 109.984 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.91 -51.35 9.78 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.934 -1.104 . . . . 0.0 109.203 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -49.41 -52.09 31.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.362 -0.836 . . . . 0.0 108.756 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.0 ptp180 -72.69 -22.35 60.92 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.38 0.43 57.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -108.58 -72.19 0.73 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 109.766 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 11' ' ' SER . 13.6 mmtt -38.9 -44.83 1.1 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.511 -0.743 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 71.4 mm-40 -43.41 -49.74 7.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.315 -0.866 . . . . 0.0 109.373 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.6 mmt -43.26 -73.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.683 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.01 -58.21 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.475 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.22 -54.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.733 -0.604 . . . . 0.0 109.494 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? . . . . . 0 N--CA 1.49 1.554 0 O-C-N 120.991 -1.068 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.01 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.85 -110.95 3.33 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -37.31 -29.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.763 -0.846 . . . . 0.0 109.618 179.276 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.59 76.23 1.06 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.172 -0.955 . . . . 0.0 109.486 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.0 t -178.51 -142.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.004 -1.06 . . . . 0.0 109.46 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.575 ' N ' HG23 ' A' ' 7' ' ' THR . 11.8 t70 -98.69 -59.64 1.7 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.993 -1.067 . . . . 0.0 110.172 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.81 -65.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.543 -0.723 . . . . 0.0 109.661 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.82 -50.54 5.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.088 -1.007 . . . . 0.0 109.847 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.6 t -50.7 -30.54 14.04 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.569 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.61 -28.49 20.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.72 -46.65 8.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.113 -0.992 . . . . 0.0 108.33 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -53.09 -58.64 6.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.461 -0.774 . . . . 0.0 109.312 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 11' ' ' SER . 12.3 mmmt -46.11 -50.64 15.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.356 -0.84 . . . . 0.0 109.765 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 69.4 mm-40 -41.96 -39.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 109.697 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.7 mmt -45.79 -76.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.945 . . . . 0.0 109.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.38 -57.35 3.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.488 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -54.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.722 -0.612 . . . . 0.0 109.556 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 25.9 mtmt . . . . . 0 N--CA 1.49 1.543 0 O-C-N 120.996 -1.065 . . . . 0.0 109.508 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.258 0.551 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.072 ' O ' HG22 ' A' ' 7' ' ' THR . . . 77.45 -106.34 2.22 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -36.92 -30.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.633 -0.922 . . . . 0.0 109.403 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.06 75.01 0.93 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.237 -0.914 . . . . 0.0 109.039 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.072 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.4 t -173.98 -141.66 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.21 -0.931 . . . . 0.0 109.054 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.583 ' N ' HG23 ' A' ' 7' ' ' THR . 14.7 t70 -99.98 -59.31 1.74 Allowed 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.902 -1.124 . . . . 0.0 109.878 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.37 -63.03 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.529 -0.732 . . . . 0.0 110.037 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.606 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.09 9.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 109.167 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 44.4 t -49.08 -52.15 27.41 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.2 ptm85 -73.59 -21.83 60.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.606 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.1 -0.99 57.88 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.653 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -94.47 -70.01 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.3 mptt -42.95 -49.02 5.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' O ' ' HE2' ' A' ' 20' ' ' LYS . 71.5 mm-40 -44.0 -45.38 7.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.24 -0.912 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.464 ' CE ' ' CZ ' ' A' ' 13' ' ' TYR . 2.6 mmt -43.82 -73.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.857 . . . . 0.0 109.792 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.33 -57.77 2.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.373 -0.829 . . . . 0.0 109.514 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.98 -53.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.475 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 23.9 mtmt . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -109.66 2.88 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -39.05 -27.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.58 -0.953 . . . . 0.0 109.874 179.453 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.6 m-85 -109.12 77.31 1.06 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.981 -1.074 . . . . 0.0 109.681 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.5 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.111 -0.993 . . . . 0.0 108.945 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -100.84 -51.8 3.47 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.936 -1.103 . . . . 0.0 109.831 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -42.57 -61.4 1.24 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 109.494 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.605 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.31 -51.57 18.87 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.79 -1.194 . . . . 0.0 108.945 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 43.9 t -48.15 -52.25 21.47 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.7 ptp180 -73.33 -23.72 60.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -87.6 7.81 28.06 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' MET . 0.8 OUTLIER -110.24 -75.47 0.62 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.218 -0.926 . . . . 0.0 109.173 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -47.77 -48.84 29.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.842 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 17' ' ' MET . 13.0 pt20 -46.94 -46.37 21.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.033 -1.042 . . . . 0.0 109.636 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.543 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.94 -71.99 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.265 -0.897 . . . . 0.0 109.766 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.53 -56.39 2.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.472 -0.768 . . . . 0.0 109.823 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -40.78 -54.17 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.544 -0.723 . . . . 0.0 109.663 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? . . . . . 0 N--CA 1.492 1.636 0 O-C-N 120.954 -1.091 . . . . 0.0 109.973 -179.589 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.012 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.53 -111.19 3.73 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.74 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.584 -0.95 . . . . 0.0 109.702 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.12 76.38 1.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.081 -1.012 . . . . 0.0 109.6 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.012 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -179.01 -145.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.099 -1.001 . . . . 0.0 109.419 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' SER . 4.8 t0 -96.55 -56.94 2.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.091 -1.006 . . . . 0.0 109.89 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.05 -66.09 0.28 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.707 . . . . 0.0 109.479 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.01 -51.74 7.56 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.488 179.625 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 47.7 t -48.64 -30.82 5.85 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.146 -0.971 . . . . 0.0 109.24 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 1.6 ptm180 -90.57 -28.89 18.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.387 -0.821 . . . . 0.0 110.156 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.11 -45.0 9.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 108.633 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttt180 -44.37 -64.34 0.7 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.268 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' GLN . 12.0 mptt -43.31 -49.94 6.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.954 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.6 mm100 -42.9 -52.32 5.18 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.62 -71.87 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.427 -0.796 . . . . 0.0 109.606 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.24 -58.13 2.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -0.867 . . . . 0.0 109.56 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -55.13 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.758 -0.589 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 26.9 mtmt . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.975 ' O ' HG22 ' A' ' 7' ' ' THR . . . 71.0 -111.38 3.68 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -36.99 -30.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.789 -0.83 . . . . 0.0 109.677 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -107.66 75.71 1.02 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.198 -0.938 . . . . 0.0 109.854 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.975 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.9 t -176.43 -141.09 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.128 -0.982 . . . . 0.0 109.039 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t70 -100.1 -60.69 1.48 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 110.112 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -38.73 -64.38 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.501 -0.749 . . . . 0.0 110.154 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -42.4 -48.6 5.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.002 -1.061 . . . . 0.0 109.628 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 28.3 t -53.98 -57.6 10.39 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.637 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.0 ptp180 -64.65 -23.63 67.32 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.43 4.82 47.83 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 3.2 mmp_? -106.06 -73.25 0.69 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.8 mmtt -43.86 -59.89 2.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.4 -0.812 . . . . 0.0 109.04 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 17' ' ' MET . 3.6 pt20 -43.72 -37.12 2.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.408 -0.808 . . . . 0.0 109.695 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.512 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 ttm -41.23 -69.37 0.14 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.826 . . . . 0.0 110.149 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.69 -55.76 2.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.344 -0.848 . . . . 0.0 109.957 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.5 t -41.26 -54.62 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.541 -0.724 . . . . 0.0 109.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 120.92 -1.112 . . . . 0.0 110.098 -179.474 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 5' ' ' ILE . 5.5 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.078 ' O ' HG22 ' A' ' 7' ' ' THR . . . 48.54 -98.14 0.02 OUTLIER Glycine 0 N--CA 1.493 2.487 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.5 -28.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.367 -1.078 . . . . 0.0 109.229 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.68 76.65 1.03 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.304 -0.872 . . . . 0.0 109.3 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.078 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.3 t -179.06 -141.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.977 -1.077 . . . . 0.0 109.489 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' SER . 21.0 t0 -99.5 -58.75 1.86 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.985 -1.072 . . . . 0.0 110.165 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.99 -64.04 0.43 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.834 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.974 -1.079 . . . . 0.0 109.148 179.688 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 35.1 t -47.57 -50.48 23.83 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.8 ptm180 -75.28 -22.71 57.55 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.64 -1.87 58.3 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.605 -0.684 . . . . 0.0 109.266 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -92.28 -71.81 0.62 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -0.981 . . . . 0.0 109.204 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.6 mptp? -42.33 -38.19 1.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.311 -0.868 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mt-30 -42.48 -44.55 4.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.0 109.526 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 23.7 mmt -44.42 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.485 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.6 -57.81 2.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.13 -54.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.689 -0.632 . . . . 0.0 109.493 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 36.2 mtmt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.102 -0.998 . . . . 0.0 109.563 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.016 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.3 -110.39 3.12 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.41 -28.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.707 -0.878 . . . . 0.0 109.81 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -109.09 76.43 1.0 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.111 -0.993 . . . . 0.0 109.561 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.016 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.71 -140.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.073 -1.017 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -100.12 -60.25 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.948 -1.095 . . . . 0.0 110.089 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.73 -63.68 0.45 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.59 -0.694 . . . . 0.0 109.915 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.44 -52.16 8.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.979 -1.075 . . . . 0.0 109.205 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.6 t -48.59 -50.77 31.05 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -74.87 -22.57 58.59 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.898 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.01 -2.13 58.44 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' TYR . 4.8 ttt85 -92.59 -71.41 0.65 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.1 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ARG . 2.5 mptt -42.18 -38.19 1.66 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.0 109.727 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 62.8 mt-30 -43.02 -48.54 6.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mtt -43.95 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.17 -57.28 3.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.0 109.402 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.03 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.694 -0.629 . . . . 0.0 109.452 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -110.37 3.12 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.894 . . . . 0.0 109.84 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.09 76.31 1.0 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.083 -1.011 . . . . 0.0 109.622 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.56 -140.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.011 . . . . 0.0 109.31 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.541 ' N ' HG23 ' A' ' 7' ' ' THR . 11.2 t70 -100.45 -60.78 1.46 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.933 -1.105 . . . . 0.0 110.155 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.71 -63.1 0.49 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.554 -0.716 . . . . 0.0 109.946 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.96 -51.66 9.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.941 -1.099 . . . . 0.0 109.138 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 41.9 t -48.71 -51.66 27.56 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.4 ptp180 -73.95 -21.92 59.84 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.35 0.0 57.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttp85 -95.85 -70.71 0.7 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.629 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.7 -47.09 5.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LYS . 26.4 mm100 -43.16 -47.48 6.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mtt -44.41 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.28 -57.06 2.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.0 -53.26 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.743 -0.598 . . . . 0.0 109.636 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.031 . . . . 0.0 109.828 -179.81 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.026 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.18 -109.73 2.9 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.74 -28.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.926 . . . . 0.0 109.788 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.71 76.12 1.05 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.631 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.026 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -178.63 -143.66 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.036 -1.04 . . . . 0.0 109.466 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.1 t70 -97.8 -58.67 1.93 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 0.0 110.1 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.06 -64.14 0.43 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.553 -0.717 . . . . 0.0 109.885 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.61 -52.12 8.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.944 -1.097 . . . . 0.0 109.124 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.2 t -48.13 -50.67 27.82 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -75.16 -22.79 57.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.98 0.61 56.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.7 ttp-105 -103.22 -73.27 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.163 -0.961 . . . . 0.0 109.479 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.04 -55.21 10.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 pt20 -43.5 -36.19 1.94 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 109.427 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.486 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 11.3 mtt -44.63 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.91 -58.65 2.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.0 109.473 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.71 -53.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.775 -0.578 . . . . 0.0 109.561 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.097 -1.002 . . . . 0.0 109.709 -179.852 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.004 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.08 -110.47 3.16 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.38 -28.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.637 -0.92 . . . . 0.0 109.849 179.492 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -108.97 76.39 1.01 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.037 -1.04 . . . . 0.0 109.593 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.53 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.09 -1.006 . . . . 0.0 109.284 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 7' ' ' THR . 19.7 t70 -99.92 -59.67 1.67 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.994 -1.066 . . . . 0.0 110.085 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.87 -63.8 0.44 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.498 -0.751 . . . . 0.0 109.883 -179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.74 8.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.968 -1.083 . . . . 0.0 109.185 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.529 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 43.5 t -48.8 -51.08 31.25 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.0 ptm180 -74.31 -21.89 59.51 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.5 2.19 55.96 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -109.56 -75.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 109.453 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.5 -49.56 7.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 109.385 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -44.01 -37.43 2.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.271 -0.893 . . . . 0.0 109.403 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.467 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 8.5 mmt -41.01 -64.34 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.183 -0.948 . . . . 0.0 110.231 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -37.83 -54.55 1.25 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.483 -0.761 . . . . 0.0 110.447 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.4 t -38.89 -53.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.57 -0.706 . . . . 0.0 109.597 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 16' ' ' GLN . 40.7 mtmt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.509 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.995 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.6 -110.78 3.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.14 -28.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.671 -0.9 . . . . 0.0 109.802 179.436 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -108.23 76.64 1.05 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.041 -1.037 . . . . 0.0 109.573 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.995 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.7 t -179.37 -143.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.047 -1.033 . . . . 0.0 109.491 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.51 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -97.98 -59.46 1.76 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.021 -1.049 . . . . 0.0 110.046 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -37.29 -63.48 0.44 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 0.0 109.893 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.23 -52.13 13.06 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.023 -1.048 . . . . 0.0 109.446 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.7 t -50.0 -40.85 45.76 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.892 -1.13 . . . . 0.0 109.0 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.0 ptp180 -85.03 -24.86 27.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.335 -0.853 . . . . 0.0 109.586 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -83.69 -34.25 24.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 0.0 108.897 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 6.3 ttt-85 -51.84 -72.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.484 -0.76 . . . . 0.0 109.093 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.01 -51.0 14.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 109.36 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.5 mt-30 -43.37 -36.26 1.84 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.32 -0.863 . . . . 0.0 109.345 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 15.2 mmt -42.54 -72.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.378 -0.826 . . . . 0.0 109.739 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.96 -58.74 2.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 0.0 109.527 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -39.13 -54.93 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.739 -0.601 . . . . 0.0 109.505 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.01 -1.056 . . . . 0.0 109.46 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.04 -111.19 3.41 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.733 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -40.89 -27.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.405 -1.056 . . . . 0.0 109.655 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.25 77.25 1.13 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.52 -144.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.127 -0.983 . . . . 0.0 109.21 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 7' ' ' THR . 26.5 t0 -96.51 -57.31 2.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.037 -1.04 . . . . 0.0 109.544 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.6 -62.21 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.643 -0.661 . . . . 0.0 109.734 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.99 -50.61 26.94 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -48.8 -40.71 30.13 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.833 -1.167 . . . . 0.0 108.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.1 ptp180 -83.88 -25.75 29.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.316 -0.865 . . . . 0.0 110.051 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.96 -28.27 21.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.0 109.096 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 10' ' ' TYR . 12.4 ttt85 -70.24 -63.34 1.1 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.271 -0.893 . . . . 0.0 109.56 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -42.14 -46.91 4.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.316 -0.865 . . . . 0.0 109.856 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 83.4 mm-40 -43.49 -38.43 2.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.289 -0.882 . . . . 0.0 109.341 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' ALA . 19.2 mmt -43.7 -72.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.6 -57.83 2.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 0.0 109.791 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.05 -54.5 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 109.533 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.101 -0.999 . . . . 0.0 109.445 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.154 0.502 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.08 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.04 -104.77 1.86 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.745 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -36.88 -30.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.94 . . . . 0.0 109.482 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.67 75.34 0.96 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 178.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.08 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.2 t -175.82 -142.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.106 -0.996 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.544 ' N ' HG23 ' A' ' 7' ' ' THR . 17.1 t70 -99.25 -59.7 1.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.942 -1.099 . . . . 0.0 110.034 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.07 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.544 -0.723 . . . . 0.0 110.014 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.63 9.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.903 -1.123 . . . . 0.0 109.17 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.4 t -48.14 -52.3 21.18 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.7 ptm180 -73.75 -22.08 59.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.11 -0.24 57.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.62 -0.675 . . . . 0.0 109.185 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.9 ttt180 -99.2 -72.22 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.548 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -44.47 -50.43 9.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 68.4 mm-40 -44.91 -34.65 2.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.31 -0.869 . . . . 0.0 109.437 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.9 mmt -45.59 -75.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.0 109.717 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.22 -57.68 2.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 109.384 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -39.34 -53.77 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.726 -0.609 . . . . 0.0 109.496 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.1 0.476 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.075 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.07 -104.43 1.56 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.735 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.16 -29.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.577 -0.955 . . . . 0.0 109.63 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -109.37 76.3 0.99 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.221 -0.925 . . . . 0.0 109.271 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.075 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -177.63 -140.17 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.137 -0.977 . . . . 0.0 109.425 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.77 -60.1 1.58 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.956 -1.09 . . . . 0.0 110.135 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.54 -63.21 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.568 -0.707 . . . . 0.0 109.964 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -52.64 8.1 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.986 -1.071 . . . . 0.0 109.099 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.558 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 39.9 t -47.37 -51.13 20.56 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -74.89 -22.29 58.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 108.68 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.86 -0.37 57.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.644 -0.66 . . . . 0.0 109.221 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.5 ttt180 -95.37 -70.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.558 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.17 -44.39 3.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.733 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mm-40 -43.11 -46.47 5.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 57.1 mtt -44.14 -75.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.11 -57.6 2.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.73 -53.5 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.817 -0.552 . . . . 0.0 109.531 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 0.0 109.644 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 121.31 0.576 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.058 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.22 -106.49 2.16 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.97 -31.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.919 . . . . 0.0 109.379 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -109.42 75.14 0.93 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.08 179.088 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.058 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.9 t -174.0 -141.17 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.198 -0.939 . . . . 0.0 109.006 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.577 ' N ' HG23 ' A' ' 7' ' ' THR . 16.3 t70 -100.17 -59.59 1.68 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.909 -1.119 . . . . 0.0 109.989 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.47 -63.03 0.53 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.024 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.46 -51.04 9.08 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.891 -1.131 . . . . 0.0 109.145 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.5 t -48.71 -54.31 15.36 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -70.92 -21.82 62.32 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -91.63 4.35 52.88 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.6 -76.51 0.57 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -41.64 -44.9 3.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 109.705 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 69.5 mm-40 -51.09 -59.27 4.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.198 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.7 mtt -42.34 -70.92 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 109.764 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.87 -56.44 2.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.492 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.1 t -39.44 -54.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.409 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 13.3 mtmt . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.057 -1.027 . . . . 0.0 109.389 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.088 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.76 -106.16 2.14 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.77 -31.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.698 -0.884 . . . . 0.0 109.342 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -109.16 75.02 0.93 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.265 -0.897 . . . . 0.0 109.005 178.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.088 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.2 t -174.05 -141.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.168 -0.957 . . . . 0.0 109.03 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 7' ' ' THR . 14.9 t70 -99.86 -59.55 1.69 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.917 -1.114 . . . . 0.0 109.917 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.12 0.51 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.534 -0.729 . . . . 0.0 109.994 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.12 9.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.904 -1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 40.6 t -49.44 -50.76 39.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 108.78 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.2 ptm180 -74.75 -22.36 58.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.858 . . . . 0.0 108.92 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.89 -6.45 57.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.563 -0.711 . . . . 0.0 109.286 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' TYR . 6.1 ttt180 -96.11 -68.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.737 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' SER . 1.2 mmtt -40.44 -51.56 2.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.447 -0.783 . . . . 0.0 109.605 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.4 mm-40 -44.83 -35.95 3.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -42.83 -72.97 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 109.819 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.32 -58.75 2.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 109.638 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.83 -54.42 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.793 -0.567 . . . . 0.0 109.535 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.2 ptpt . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.572 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.16 -111.44 3.92 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 108.383 -1.887 . . . . 0.0 108.383 -179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.37 -27.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.931 . . . . 0.0 109.679 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.65 77.14 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.059 -1.026 . . . . 0.0 109.524 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.1 t -178.96 -144.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.025 -1.047 . . . . 0.0 109.398 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.507 ' N ' HG23 ' A' ' 7' ' ' THR . 20.2 t70 -97.32 -56.95 2.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.064 -1.023 . . . . 0.0 109.858 -179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.2 -65.56 0.33 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.61 -0.681 . . . . 0.0 109.567 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.57 -52.84 6.02 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.202 -0.936 . . . . 0.0 109.482 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 46.0 t -47.16 -32.56 4.42 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 109.164 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.47 -28.32 18.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.697 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.85 -44.63 10.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.195 -0.94 . . . . 0.0 108.805 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.3 ttt85 -42.43 -62.93 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.843 . . . . 0.0 109.601 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 11' ' ' SER . 6.2 mptt -45.87 -50.77 14.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.885 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.1 mm100 -42.66 -38.56 2.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.299 -0.876 . . . . 0.0 109.554 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 29.7 mmt -46.97 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.242 -0.911 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.28 -56.92 2.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.465 -0.772 . . . . 0.0 109.506 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.2 -52.89 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.697 -0.627 . . . . 0.0 109.541 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.077 -1.014 . . . . 0.0 109.834 -179.836 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.081 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.72 -107.15 2.26 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.698 -1.761 . . . . 0.0 108.698 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -35.7 -32.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.791 -0.829 . . . . 0.0 109.369 179.469 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -107.74 75.07 0.99 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.181 179.228 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.081 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.4 t -175.68 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 109.118 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.573 ' N ' HG23 ' A' ' 7' ' ' THR . 14.3 t70 -97.81 -58.78 1.91 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.002 -1.061 . . . . 0.0 109.756 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -36.49 -62.56 0.45 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.658 -0.651 . . . . 0.0 109.885 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -48.79 -46.43 41.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.621 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -54.73 -31.3 58.12 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.839 -1.163 . . . . 0.0 108.889 -179.689 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.25 -28.72 18.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.426 -0.796 . . . . 0.0 109.852 179.589 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -92.31 -56.25 3.12 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.564 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -39.8 -59.56 1.15 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 11' ' ' SER . 11.0 mmmt -47.03 -52.19 15.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.358 -0.839 . . . . 0.0 109.525 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.0 mm100 -43.28 -39.13 2.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 109.455 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.3 mmt -43.78 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 109.823 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.34 -57.99 2.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.553 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.37 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.741 -0.6 . . . . 0.0 109.488 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 18.9 mtmt . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.988 ' O ' HG22 ' A' ' 7' ' ' THR . . . 70.04 -110.98 3.56 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.74 -28.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.613 -0.934 . . . . 0.0 109.75 179.302 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.71 76.2 1.01 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.073 -1.017 . . . . 0.0 109.515 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -177.14 -141.31 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.081 -1.012 . . . . 0.0 109.307 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.537 ' N ' HG23 ' A' ' 7' ' ' THR . 37.8 t70 -99.56 -59.93 1.63 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.935 -1.103 . . . . 0.0 110.137 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.92 -63.74 0.45 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.537 -0.727 . . . . 0.0 109.891 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.82 -51.27 9.68 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.973 -1.079 . . . . 0.0 109.133 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.9 t -48.93 -51.0 32.63 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.3 ptp180 -74.4 -22.39 59.2 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.79 -0.43 57.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.694 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 ttp180 -94.1 -68.76 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.09 -48.28 4.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 109.608 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 25.4 mm100 -44.35 -37.27 3.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -0.889 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 2.8 mtt -41.78 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.439 -0.788 . . . . 0.0 110.067 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.85 -54.72 2.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.992 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.2 t -42.07 -55.05 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 109.786 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.07 . . . . 0.0 110.146 -179.441 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 0.902 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.5 -110.01 2.94 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.842 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -56.01 -11.83 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.272 . . . . 0.0 110.672 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.27 78.87 1.2 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.283 -1.51 . . . . 0.0 108.934 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 4' ' ' GLY . 3.6 t -179.04 -144.62 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.027 -1.046 . . . . 0.0 109.589 -179.358 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.532 ' N ' ' OG1' ' A' ' 7' ' ' THR . 6.7 t0 -91.01 -51.6 5.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.51 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.65 -66.82 0.26 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.428 -0.795 . . . . 0.0 109.423 179.778 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.617 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.97 -44.67 20.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.741 179.805 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 26.7 t -55.51 -33.45 63.75 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.87 -1.143 . . . . 0.0 108.934 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 4.8 ptm180 -88.51 -28.33 20.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.904 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -93.62 -57.46 2.57 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.663 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.09 -59.38 1.01 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.377 0.608 . . . . 0.0 109.426 179.013 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 11' ' ' SER . 5.3 mmmt -46.46 -52.46 13.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 60.6 mm-40 -44.13 -35.74 2.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.2 mmt -44.73 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.238 -0.914 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.69 -58.62 2.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.92 -53.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.699 -0.626 . . . . 0.0 109.51 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 0.0 109.585 179.937 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' GLY . . . . . 1.017 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.16 -110.47 3.15 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.602 -1.799 . . . . 0.0 108.602 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.654 -0.909 . . . . 0.0 109.793 179.547 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -109.06 76.12 0.99 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.09 -1.006 . . . . 0.0 109.583 179.507 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 7' ' ' THR . . . . . 1.017 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.09 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.084 -1.01 . . . . 0.0 109.37 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.549 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.35 -61.26 1.39 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.873 -1.142 . . . . 0.0 110.164 -179.408 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.45 -63.33 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.591 -0.693 . . . . 0.0 109.959 -179.548 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.88 -51.24 9.82 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.999 -1.063 . . . . 0.0 109.084 179.798 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 41.4 t -48.97 -51.84 28.22 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 9' ' ' SER . 9.8 ptm180 -73.65 -22.32 60.01 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.89 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.78 -0.94 57.86 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.7 ttt-85 -93.15 -68.17 0.82 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 109.617 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.83 -45.92 3.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 109.706 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 23.8 mm100 -44.48 -39.68 4.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 109.241 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mmt -41.6 -69.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.784 . . . . 0.0 109.986 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.56 -57.72 1.77 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.833 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -38.94 -54.91 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.723 -0.611 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.0 t60 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.3 m -165.73 164.38 18.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -168.79 70.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 110.01 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.043 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.48 -110.77 3.3 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.741 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.51 -28.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.555 -0.968 . . . . 0.0 109.732 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -107.77 76.7 1.08 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.188 -0.945 . . . . 0.0 109.438 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.37 -144.08 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.086 -1.009 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 7' ' ' THR . 16.6 t70 -96.9 -58.33 2.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.31 -62.3 0.52 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.651 -0.656 . . . . 0.0 109.808 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.69 -50.66 24.33 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.046 -1.034 . . . . 0.0 109.444 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.533 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 37.7 t -48.85 -40.36 29.25 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.834 -1.166 . . . . 0.0 108.831 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 9' ' ' SER . 1.8 ptp180 -85.6 -27.28 25.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -83.24 -36.15 24.82 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -68.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.371 -0.831 . . . . 0.0 108.825 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 11' ' ' SER . 10.3 mttt -47.46 -50.47 22.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 109.519 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.4 mt-30 -40.21 -35.69 0.43 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.487 -0.758 . . . . 0.0 109.486 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.2 mmt -49.02 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.35 -0.844 . . . . 0.0 109.35 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.52 -57.35 3.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.4 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.06 -52.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.776 -0.577 . . . . 0.0 109.507 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 44.8 mtmt -72.79 54.39 0.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t60 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -171.78 156.89 4.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.594 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.84 67.62 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.146 -0.971 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.009 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.4 -109.72 2.92 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.55 -27.81 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.961 . . . . 0.0 109.941 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.1 75.81 1.05 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.03 -1.043 . . . . 0.0 109.746 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.009 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.9 t -178.79 -144.49 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.037 -1.039 . . . . 0.0 109.719 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 3.9 t0 -96.62 -57.49 2.29 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.067 -1.021 . . . . 0.0 110.201 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -38.8 -66.64 0.26 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.377 -0.827 . . . . 0.0 109.76 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.07 -51.22 5.89 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.881 . . . . 0.0 109.348 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.542 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.5 t -48.17 -49.68 31.66 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' SER . 4.9 ptm180 -74.79 -23.58 58.52 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.71 3.1 55.19 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -101.59 -71.62 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 109.61 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.79 -48.4 4.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 109.662 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 21.1 mm100 -43.82 -47.6 8.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 109.481 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.8 mtt -44.29 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -42.01 -57.33 2.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.434 -0.791 . . . . 0.0 109.719 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -40.46 -51.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.519 -0.738 . . . . 0.0 109.907 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 15.7 mtmt -83.67 17.79 2.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.967 -1.083 . . . . 0.0 110.273 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.8 t60 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.6 m -165.45 162.96 19.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -166.7 70.21 0.11 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.103 -0.998 . . . . 0.0 110.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.032 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.95 -109.43 2.8 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.736 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.7 -28.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.579 -0.954 . . . . 0.0 109.842 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.74 76.2 1.05 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.076 -1.015 . . . . 0.0 109.604 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -178.54 -143.29 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.077 -1.014 . . . . 0.0 109.485 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.8 t70 -97.97 -58.99 1.85 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.985 -1.072 . . . . 0.0 110.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.08 -63.48 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.519 -0.738 . . . . 0.0 109.922 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.08 -52.0 9.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.909 -1.119 . . . . 0.0 109.097 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 41.0 t -48.01 -51.12 25.3 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 6.0 ptm180 -74.85 -22.08 58.89 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.29 1.58 56.38 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -102.13 -72.86 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.6 mptt -45.04 -51.46 9.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.148 -0.97 . . . . 0.0 109.529 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 66.9 mm-40 -43.68 -34.95 1.62 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.851 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.7 mmt -45.56 -76.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.04 -58.81 2.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.398 -0.814 . . . . 0.0 109.463 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.18 -54.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.755 -0.591 . . . . 0.0 109.567 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 40.2 mtmt -77.0 -155.41 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' SER . 21.4 t-160 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.499 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.8 m 58.69 154.12 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.345 -0.847 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' SER . 7.5 t70 178.52 75.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.058 -1.026 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.47 -110.67 3.46 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.52 -28.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.597 -0.943 . . . . 0.0 109.764 179.365 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.56 76.14 1.01 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.031 -1.043 . . . . 0.0 109.698 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.61 -141.16 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.058 -1.026 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 7' ' ' THR . 13.5 t70 -99.42 -60.84 1.45 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 110.191 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.66 -63.33 0.47 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.569 -0.707 . . . . 0.0 109.984 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.91 -51.35 9.78 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.934 -1.104 . . . . 0.0 109.203 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -49.41 -52.09 31.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.362 -0.836 . . . . 0.0 108.756 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.0 ptp180 -72.69 -22.35 60.92 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.38 0.43 57.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -108.58 -72.19 0.73 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 109.766 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 11' ' ' SER . 13.6 mmtt -38.9 -44.83 1.1 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.511 -0.743 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 71.4 mm-40 -43.41 -49.74 7.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.315 -0.866 . . . . 0.0 109.373 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 21' ' ' LYN . 22.6 mmt -43.26 -73.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.683 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.01 -58.21 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.475 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.22 -54.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.733 -0.604 . . . . 0.0 109.494 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? -83.41 47.74 1.3 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.991 -1.068 . . . . 0.0 109.449 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.406 ' CG ' ' N ' ' A' ' 2' ' ' SER . 75.4 t60 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -160.98 158.62 28.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.415 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -167.03 70.96 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 109.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.01 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.85 -110.95 3.33 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -37.31 -29.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.763 -0.846 . . . . 0.0 109.618 179.276 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.59 76.23 1.06 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.172 -0.955 . . . . 0.0 109.486 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.0 t -178.51 -142.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.004 -1.06 . . . . 0.0 109.46 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.575 ' N ' HG23 ' A' ' 7' ' ' THR . 11.8 t70 -98.69 -59.64 1.7 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.993 -1.067 . . . . 0.0 110.172 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.81 -65.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.543 -0.723 . . . . 0.0 109.661 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.82 -50.54 5.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.088 -1.007 . . . . 0.0 109.847 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.6 t -50.7 -30.54 14.04 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.569 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.61 -28.49 20.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.72 -46.65 8.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.113 -0.992 . . . . 0.0 108.33 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -53.09 -58.64 6.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.461 -0.774 . . . . 0.0 109.312 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 11' ' ' SER . 12.3 mmmt -46.11 -50.64 15.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.356 -0.84 . . . . 0.0 109.765 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 69.4 mm-40 -41.96 -39.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 109.697 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.7 mmt -45.79 -76.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.945 . . . . 0.0 109.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.38 -57.35 3.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.488 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -54.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.722 -0.612 . . . . 0.0 109.556 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 25.9 mtmt -68.91 -160.34 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.996 -1.065 . . . . 0.0 109.508 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.424 ' HD3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.54 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 49.3 p-80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' PHE . 69.3 m 50.97 25.3 2.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.114 -0.991 . . . . 0.0 109.486 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -124.45 52.26 1.53 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 110.361 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.072 ' O ' HG22 ' A' ' 7' ' ' THR . . . 77.45 -106.34 2.22 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -36.92 -30.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.633 -0.922 . . . . 0.0 109.403 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.06 75.01 0.93 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.237 -0.914 . . . . 0.0 109.039 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.072 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.4 t -173.98 -141.66 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.21 -0.931 . . . . 0.0 109.054 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' N ' HG23 ' A' ' 7' ' ' THR . 14.7 t70 -99.98 -59.31 1.74 Allowed 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.902 -1.124 . . . . 0.0 109.878 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.37 -63.03 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.529 -0.732 . . . . 0.0 110.037 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.606 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.09 9.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 109.167 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 44.4 t -49.08 -52.15 27.41 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.2 ptm85 -73.59 -21.83 60.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.606 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.1 -0.99 57.88 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.653 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -94.47 -70.01 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.3 mptt -42.95 -49.02 5.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' O ' ' HE2' ' A' ' 20' ' ' LYS . 71.5 mm-40 -44.0 -45.38 7.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.24 -0.912 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.464 ' CE ' ' CZ ' ' A' ' 13' ' ' TYR . 2.6 mmt -43.82 -73.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.857 . . . . 0.0 109.792 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.33 -57.77 2.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.373 -0.829 . . . . 0.0 109.514 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.98 -53.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.475 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 23.9 mtmt -86.5 45.5 1.25 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -170.48 158.74 6.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.223 -0.923 . . . . 0.0 109.445 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -171.25 72.82 0.05 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.018 . . . . 0.0 109.611 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -109.66 2.88 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.584 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -39.05 -27.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.58 -0.953 . . . . 0.0 109.874 179.453 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.6 m-85 -109.12 77.31 1.06 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.981 -1.074 . . . . 0.0 109.681 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.5 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.111 -0.993 . . . . 0.0 108.945 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -100.84 -51.8 3.47 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.936 -1.103 . . . . 0.0 109.831 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -42.57 -61.4 1.24 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 109.494 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.605 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.31 -51.57 18.87 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.79 -1.194 . . . . 0.0 108.945 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 43.9 t -48.15 -52.25 21.47 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.7 ptp180 -73.33 -23.72 60.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -87.6 7.81 28.06 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' MET . 0.8 OUTLIER -110.24 -75.47 0.62 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.218 -0.926 . . . . 0.0 109.173 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -47.77 -48.84 29.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.842 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 17' ' ' MET . 13.0 pt20 -46.94 -46.37 21.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.033 -1.042 . . . . 0.0 109.636 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.543 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.94 -71.99 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.265 -0.897 . . . . 0.0 109.766 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -40.53 -56.39 2.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.472 -0.768 . . . . 0.0 109.823 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -40.78 -54.17 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.544 -0.723 . . . . 0.0 109.663 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -84.7 15.05 4.09 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.954 -1.091 . . . . 0.0 109.973 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' SER . 20.9 t-160 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 30.9 m 57.32 158.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.524 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -177.35 74.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.09 -1.006 . . . . 0.0 109.792 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.012 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.53 -111.19 3.73 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.74 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.584 -0.95 . . . . 0.0 109.702 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.12 76.38 1.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.081 -1.012 . . . . 0.0 109.6 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.012 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -179.01 -145.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.099 -1.001 . . . . 0.0 109.419 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' SER . 4.8 t0 -96.55 -56.94 2.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.091 -1.006 . . . . 0.0 109.89 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.05 -66.09 0.28 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.707 . . . . 0.0 109.479 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.01 -51.74 7.56 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.488 179.625 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 47.7 t -48.64 -30.82 5.85 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.146 -0.971 . . . . 0.0 109.24 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 1.6 ptm180 -90.57 -28.89 18.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.387 -0.821 . . . . 0.0 110.156 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.613 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.11 -45.0 9.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 108.633 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttt180 -44.37 -64.34 0.7 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.268 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' GLN . 12.0 mptt -43.31 -49.94 6.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.954 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.6 mm100 -42.9 -52.32 5.18 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.62 -71.87 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.427 -0.796 . . . . 0.0 109.606 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.24 -58.13 2.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -0.867 . . . . 0.0 109.56 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -55.13 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.758 -0.589 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 21' ' ' LYN . 26.9 mtmt -80.47 -164.42 0.7 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.453 ' HD2' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 6.9 t60 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 24.3 m -171.83 163.04 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.67 73.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.187 -0.945 . . . . 0.0 109.718 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.975 ' O ' HG22 ' A' ' 7' ' ' THR . . . 71.0 -111.38 3.68 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -36.99 -30.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.789 -0.83 . . . . 0.0 109.677 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -107.66 75.71 1.02 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.198 -0.938 . . . . 0.0 109.854 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.975 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.9 t -176.43 -141.09 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.128 -0.982 . . . . 0.0 109.039 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t70 -100.1 -60.69 1.48 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 110.112 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -38.73 -64.38 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.501 -0.749 . . . . 0.0 110.154 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -42.4 -48.6 5.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.002 -1.061 . . . . 0.0 109.628 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 28.3 t -53.98 -57.6 10.39 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.637 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.0 ptp180 -64.65 -23.63 67.32 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.43 4.82 47.83 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 3.2 mmp_? -106.06 -73.25 0.69 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.8 mmtt -43.86 -59.89 2.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.4 -0.812 . . . . 0.0 109.04 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 17' ' ' MET . 3.6 pt20 -43.72 -37.12 2.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.408 -0.808 . . . . 0.0 109.695 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.512 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 ttm -41.23 -69.37 0.14 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.826 . . . . 0.0 110.149 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -41.69 -55.76 2.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.344 -0.848 . . . . 0.0 109.957 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.5 t -41.26 -54.62 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.541 -0.724 . . . . 0.0 109.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -80.93 9.33 6.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.92 -1.112 . . . . 0.0 110.098 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.57 ' CE1' ' OD2' ' A' ' 3' ' ' ASP . 21.6 p-80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -175.16 26.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.57 ' OD2' ' CE1' ' A' ' 1' ' ' HIS . 5.5 m-20 -123.69 52.2 1.45 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.887 -1.133 . . . . 0.0 110.271 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.078 ' O ' HG22 ' A' ' 7' ' ' THR . . . 48.54 -98.14 0.02 OUTLIER Glycine 0 N--CA 1.493 2.487 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.5 -28.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.367 -1.078 . . . . 0.0 109.229 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.68 76.65 1.03 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.304 -0.872 . . . . 0.0 109.3 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.078 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.3 t -179.06 -141.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.977 -1.077 . . . . 0.0 109.489 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' SER . 21.0 t0 -99.5 -58.75 1.86 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.985 -1.072 . . . . 0.0 110.165 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.99 -64.04 0.43 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.834 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.974 -1.079 . . . . 0.0 109.148 179.688 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 35.1 t -47.57 -50.48 23.83 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.8 ptm180 -75.28 -22.71 57.55 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.64 -1.87 58.3 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.605 -0.684 . . . . 0.0 109.266 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -92.28 -71.81 0.62 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -0.981 . . . . 0.0 109.204 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.6 mptp? -42.33 -38.19 1.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.311 -0.868 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mt-30 -42.48 -44.55 4.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.0 109.526 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 23.7 mmt -44.42 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.485 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.6 -57.81 2.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.13 -54.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.689 -0.632 . . . . 0.0 109.493 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 21' ' ' LYN . 36.2 mtmt -76.89 -164.3 0.42 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.102 -0.998 . . . . 0.0 109.563 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.439 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 5.0 m -162.54 162.93 27.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.489 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -175.15 73.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.153 -0.967 . . . . 0.0 109.761 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.016 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.3 -110.39 3.12 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.41 -28.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.707 -0.878 . . . . 0.0 109.81 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -109.09 76.43 1.0 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.111 -0.993 . . . . 0.0 109.561 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.016 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.71 -140.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.073 -1.017 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -100.12 -60.25 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.948 -1.095 . . . . 0.0 110.089 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.73 -63.68 0.45 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.59 -0.694 . . . . 0.0 109.915 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.44 -52.16 8.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.979 -1.075 . . . . 0.0 109.205 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.6 t -48.59 -50.77 31.05 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -74.87 -22.57 58.59 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.01 -2.13 58.44 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' TYR . 4.8 ttt85 -92.59 -71.41 0.65 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.1 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ARG . 2.5 mptt -42.18 -38.19 1.66 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.0 109.727 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 62.8 mt-30 -43.02 -48.54 6.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mtt -43.95 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.17 -57.28 3.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.0 109.402 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.03 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.694 -0.629 . . . . 0.0 109.452 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -82.78 48.3 1.32 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.5 m -162.26 163.01 28.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.532 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -174.95 73.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.16 -0.962 . . . . 0.0 109.717 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -110.37 3.12 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.894 . . . . 0.0 109.84 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.09 76.31 1.0 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.083 -1.011 . . . . 0.0 109.622 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.56 -140.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.011 . . . . 0.0 109.31 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.541 ' N ' HG23 ' A' ' 7' ' ' THR . 11.2 t70 -100.45 -60.78 1.46 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.933 -1.105 . . . . 0.0 110.155 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.71 -63.1 0.49 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.554 -0.716 . . . . 0.0 109.946 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.96 -51.66 9.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.941 -1.099 . . . . 0.0 109.138 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 41.9 t -48.71 -51.66 27.56 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.4 ptp180 -73.95 -21.92 59.84 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.35 0.0 57.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttp85 -95.85 -70.71 0.7 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.629 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.7 -47.09 5.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LYS . 26.4 mm100 -43.16 -47.48 6.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 2.6 mtt -44.41 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HA ' ' CG ' ' A' ' 21' ' ' LYN . . . -42.28 -57.06 2.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.0 -53.26 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.743 -0.598 . . . . 0.0 109.636 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 2.7 mtmp? -80.99 48.32 1.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.031 . . . . 0.0 109.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.535 ' CG ' ' HA ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 3.9 m -166.0 163.49 18.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.901 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -167.25 70.42 0.1 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.917 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.026 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.18 -109.73 2.9 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.74 -28.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.926 . . . . 0.0 109.788 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.71 76.12 1.05 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.631 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.026 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -178.63 -143.66 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.036 -1.04 . . . . 0.0 109.466 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.1 t70 -97.8 -58.67 1.93 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 0.0 110.1 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.06 -64.14 0.43 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.553 -0.717 . . . . 0.0 109.885 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.61 -52.12 8.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.944 -1.097 . . . . 0.0 109.124 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.2 t -48.13 -50.67 27.82 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -75.16 -22.79 57.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.98 0.61 56.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.7 ttp-105 -103.22 -73.27 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.163 -0.961 . . . . 0.0 109.479 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.04 -55.21 10.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' CG ' ' O ' ' A' ' 12' ' ' ARG . 3.7 pt20 -43.5 -36.19 1.94 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 109.427 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.486 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 11.3 mtt -44.63 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.91 -58.65 2.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.0 109.473 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.71 -53.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.775 -0.578 . . . . 0.0 109.561 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -80.88 49.49 1.22 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.097 -1.002 . . . . 0.0 109.709 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.448 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.0 t60 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 19.7 m -153.98 161.51 41.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.489 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -175.58 73.81 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.166 -0.959 . . . . 0.0 109.767 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.004 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.08 -110.47 3.16 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.38 -28.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.637 -0.92 . . . . 0.0 109.849 179.492 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -108.97 76.39 1.01 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.037 -1.04 . . . . 0.0 109.593 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.53 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.09 -1.006 . . . . 0.0 109.284 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 7' ' ' THR . 19.7 t70 -99.92 -59.67 1.67 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.994 -1.066 . . . . 0.0 110.085 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.87 -63.8 0.44 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.498 -0.751 . . . . 0.0 109.883 -179.621 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.74 8.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.968 -1.083 . . . . 0.0 109.185 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.529 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 43.5 t -48.8 -51.08 31.25 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.0 ptm180 -74.31 -21.89 59.51 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.5 2.19 55.96 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -109.56 -75.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 109.453 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.5 -49.56 7.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 109.385 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -44.01 -37.43 2.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.271 -0.893 . . . . 0.0 109.403 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 8.5 mmt -41.01 -64.34 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.183 -0.948 . . . . 0.0 110.231 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -37.83 -54.55 1.25 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.483 -0.761 . . . . 0.0 110.447 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.4 t -38.89 -53.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.57 -0.706 . . . . 0.0 109.597 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 16' ' ' GLN . 40.7 mtmt -70.22 -162.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.509 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' SER . 77.7 t60 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.328 0.585 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.7 m 58.6 154.02 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 0.0 109.472 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' SER . 9.5 t70 178.29 76.06 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.973 -1.079 . . . . 0.0 109.732 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.995 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.6 -110.78 3.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.14 -28.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.671 -0.9 . . . . 0.0 109.802 179.436 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -108.23 76.64 1.05 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.041 -1.037 . . . . 0.0 109.573 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.995 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.7 t -179.37 -143.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.047 -1.033 . . . . 0.0 109.491 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.51 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -97.98 -59.46 1.76 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.021 -1.049 . . . . 0.0 110.046 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -37.29 -63.48 0.44 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 0.0 109.893 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.23 -52.13 13.06 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.023 -1.048 . . . . 0.0 109.446 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.7 t -50.0 -40.85 45.76 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.892 -1.13 . . . . 0.0 109.0 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.0 ptp180 -85.03 -24.86 27.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.335 -0.853 . . . . 0.0 109.586 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -83.69 -34.25 24.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 0.0 108.897 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 6.3 ttt-85 -51.84 -72.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.484 -0.76 . . . . 0.0 109.093 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.01 -51.0 14.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 109.36 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.5 mt-30 -43.37 -36.26 1.84 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.32 -0.863 . . . . 0.0 109.345 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 15.2 mmt -42.54 -72.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.378 -0.826 . . . . 0.0 109.739 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.96 -58.74 2.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 0.0 109.527 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -39.13 -54.93 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.739 -0.601 . . . . 0.0 109.505 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.12 -152.59 0.13 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.01 -1.056 . . . . 0.0 109.46 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.7 t60 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -172.05 158.27 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.228 -0.92 . . . . 0.0 109.584 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -160.41 68.25 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.141 -0.974 . . . . 0.0 109.552 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.04 -111.19 3.41 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.733 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -40.89 -27.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.405 -1.056 . . . . 0.0 109.655 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.25 77.25 1.13 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.52 -144.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.127 -0.983 . . . . 0.0 109.21 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 7' ' ' THR . 26.5 t0 -96.51 -57.31 2.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.037 -1.04 . . . . 0.0 109.544 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.6 -62.21 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.643 -0.661 . . . . 0.0 109.734 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.99 -50.61 26.94 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -48.8 -40.71 30.13 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.833 -1.167 . . . . 0.0 108.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.1 ptp180 -83.88 -25.75 29.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.316 -0.865 . . . . 0.0 110.051 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.96 -28.27 21.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.0 109.096 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 10' ' ' TYR . 12.4 ttt85 -70.24 -63.34 1.1 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.271 -0.893 . . . . 0.0 109.56 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -42.14 -46.91 4.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.316 -0.865 . . . . 0.0 109.856 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 83.4 mm-40 -43.49 -38.43 2.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.289 -0.882 . . . . 0.0 109.341 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' ALA . 19.2 mmt -43.7 -72.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.6 -57.83 2.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 0.0 109.791 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.05 -54.5 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 109.533 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -77.46 -158.08 0.11 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.101 -0.999 . . . . 0.0 109.445 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 2' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' A' ' 1' ' ' HIS . 21.5 m -174.93 30.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.549 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -124.14 51.01 1.6 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.007 -1.058 . . . . 0.0 110.67 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.08 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.04 -104.77 1.86 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.745 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -36.88 -30.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.94 . . . . 0.0 109.482 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.67 75.34 0.96 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 178.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.08 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.2 t -175.82 -142.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.106 -0.996 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.544 ' N ' HG23 ' A' ' 7' ' ' THR . 17.1 t70 -99.25 -59.7 1.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.942 -1.099 . . . . 0.0 110.034 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.07 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.544 -0.723 . . . . 0.0 110.014 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.63 9.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.903 -1.123 . . . . 0.0 109.17 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.4 t -48.14 -52.3 21.18 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.7 ptm180 -73.75 -22.08 59.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.11 -0.24 57.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.62 -0.675 . . . . 0.0 109.185 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.9 ttt180 -99.2 -72.22 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.548 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -44.47 -50.43 9.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 68.4 mm-40 -44.91 -34.65 2.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.31 -0.869 . . . . 0.0 109.437 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.9 mmt -45.59 -75.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.0 109.717 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.22 -57.68 2.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 109.384 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -39.34 -53.77 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.726 -0.609 . . . . 0.0 109.496 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? -81.46 49.01 1.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 109.536 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.41 ' H ' ' HD2' ' A' ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' SER . 0.9 OUTLIER . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 49.7 m 60.64 67.18 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.608 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -143.62 61.01 1.38 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.758 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.075 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.07 -104.43 1.56 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.735 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.16 -29.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.577 -0.955 . . . . 0.0 109.63 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -109.37 76.3 0.99 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.221 -0.925 . . . . 0.0 109.271 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.075 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -177.63 -140.17 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.137 -0.977 . . . . 0.0 109.425 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.77 -60.1 1.58 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.956 -1.09 . . . . 0.0 110.135 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.54 -63.21 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.568 -0.707 . . . . 0.0 109.964 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -52.64 8.1 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.986 -1.071 . . . . 0.0 109.099 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.558 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 39.9 t -47.37 -51.13 20.56 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -74.89 -22.29 58.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 108.68 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.86 -0.37 57.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.644 -0.66 . . . . 0.0 109.221 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.5 ttt180 -95.37 -70.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.558 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.17 -44.39 3.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.733 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mm-40 -43.11 -46.47 5.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 57.1 mtt -44.14 -75.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.11 -57.6 2.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.73 -53.5 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.817 -0.552 . . . . 0.0 109.531 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -78.58 51.14 1.03 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.441 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.551 ' HB3' ' CB ' ' A' ' 6' ' ' PHE . 9.6 t-160 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 1' ' ' HIS . 50.4 m 62.03 40.25 12.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.212 -0.93 . . . . 0.0 109.68 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -132.6 56.62 1.83 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.094 -1.004 . . . . 0.0 109.952 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.058 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.22 -106.49 2.16 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.97 -31.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.919 . . . . 0.0 109.379 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.551 ' CB ' ' HB3' ' A' ' 1' ' ' HIS . 1.0 OUTLIER -109.42 75.14 0.93 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.08 179.088 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.058 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.9 t -174.0 -141.17 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.198 -0.939 . . . . 0.0 109.006 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.577 ' N ' HG23 ' A' ' 7' ' ' THR . 16.3 t70 -100.17 -59.59 1.68 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.909 -1.119 . . . . 0.0 109.989 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.47 -63.03 0.53 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.024 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.46 -51.04 9.08 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.891 -1.131 . . . . 0.0 109.145 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.5 t -48.71 -54.31 15.36 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -70.92 -21.82 62.32 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -91.63 4.35 52.88 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.6 -76.51 0.57 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -41.64 -44.9 3.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 109.705 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 69.5 mm-40 -51.09 -59.27 4.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.198 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.7 mtt -42.34 -70.92 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 109.764 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.87 -56.44 2.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.492 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.1 t -39.44 -54.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.409 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 21' ' ' LYN . 13.3 mtmt -89.85 -169.04 2.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.057 -1.027 . . . . 0.0 109.389 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.454 ' HD3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 2' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' A' ' 1' ' ' HIS . 6.3 m -178.23 31.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.566 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.13 53.33 1.62 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.051 -1.031 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.088 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.76 -106.16 2.14 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.77 -31.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.698 -0.884 . . . . 0.0 109.342 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -109.16 75.02 0.93 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.265 -0.897 . . . . 0.0 109.005 178.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.088 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.2 t -174.05 -141.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.168 -0.957 . . . . 0.0 109.03 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 7' ' ' THR . 14.9 t70 -99.86 -59.55 1.69 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.917 -1.114 . . . . 0.0 109.917 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.12 0.51 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.534 -0.729 . . . . 0.0 109.994 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.12 9.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.904 -1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 40.6 t -49.44 -50.76 39.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 108.78 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.2 ptm180 -74.75 -22.36 58.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.858 . . . . 0.0 108.92 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.89 -6.45 57.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.563 -0.711 . . . . 0.0 109.286 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' TYR . 6.1 ttt180 -96.11 -68.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.737 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' SER . 1.2 mmtt -40.44 -51.56 2.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.447 -0.783 . . . . 0.0 109.605 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' O ' ' HG2' ' A' ' 20' ' ' LYS . 70.4 mm-40 -44.83 -35.95 3.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -42.83 -72.97 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 109.819 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.32 -58.75 2.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 109.638 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.83 -54.42 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.793 -0.567 . . . . 0.0 109.535 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.2 ptpt -81.42 49.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.44 ' HG2' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' SER . 73.5 t60 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.48 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 58.9 m 57.17 159.52 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -176.9 74.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.132 -0.98 . . . . 0.0 109.737 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.16 -111.44 3.92 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 108.383 -1.887 . . . . 0.0 108.383 -179.339 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.37 -27.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.931 . . . . 0.0 109.679 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.65 77.14 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.059 -1.026 . . . . 0.0 109.524 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.1 t -178.96 -144.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.025 -1.047 . . . . 0.0 109.398 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' N ' HG23 ' A' ' 7' ' ' THR . 20.2 t70 -97.32 -56.95 2.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.064 -1.023 . . . . 0.0 109.858 -179.661 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.2 -65.56 0.33 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.61 -0.681 . . . . 0.0 109.567 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.57 -52.84 6.02 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.202 -0.936 . . . . 0.0 109.482 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 46.0 t -47.16 -32.56 4.42 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 109.164 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.47 -28.32 18.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.697 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.85 -44.63 10.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.195 -0.94 . . . . 0.0 108.805 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.3 ttt85 -42.43 -62.93 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.843 . . . . 0.0 109.601 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 11' ' ' SER . 6.2 mptt -45.87 -50.77 14.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.885 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.1 mm100 -42.66 -38.56 2.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.299 -0.876 . . . . 0.0 109.554 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.461 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 29.7 mmt -46.97 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.242 -0.911 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' A' ' 21' ' ' LYN . . . -42.28 -56.92 2.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.465 -0.772 . . . . 0.0 109.506 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.2 -52.89 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.697 -0.627 . . . . 0.0 109.541 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 2.0 mtmp? -79.71 49.48 1.04 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.077 -1.014 . . . . 0.0 109.834 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.573 ' O ' ' CG ' ' A' ' 1' ' ' HIS . 2.2 p-80 . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 1' ' ' HIS . 71.1 m 60.2 48.67 8.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.154 -0.966 . . . . 0.0 109.599 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -136.01 58.55 1.74 Allowed 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.073 -1.017 . . . . 0.0 109.702 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.081 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.72 -107.15 2.26 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.698 -1.761 . . . . 0.0 108.698 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -35.7 -32.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.791 -0.829 . . . . 0.0 109.369 179.469 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -107.74 75.07 0.99 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.181 179.228 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.081 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.4 t -175.68 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 109.118 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.573 ' N ' HG23 ' A' ' 7' ' ' THR . 14.3 t70 -97.81 -58.78 1.91 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.002 -1.061 . . . . 0.0 109.756 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -36.49 -62.56 0.45 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.658 -0.651 . . . . 0.0 109.885 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -48.79 -46.43 41.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.621 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -54.73 -31.3 58.12 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.839 -1.163 . . . . 0.0 108.889 -179.689 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.25 -28.72 18.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.426 -0.796 . . . . 0.0 109.852 179.589 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -92.31 -56.25 3.12 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.564 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -39.8 -59.56 1.15 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 11' ' ' SER . 11.0 mmmt -47.03 -52.19 15.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.358 -0.839 . . . . 0.0 109.525 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.0 mm100 -43.28 -39.13 2.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 109.455 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.3 mmt -43.78 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 109.823 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.34 -57.99 2.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.553 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.37 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.741 -0.6 . . . . 0.0 109.488 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 21' ' ' LYN . 18.9 mtmt -85.93 -168.45 2.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.516 ' CD ' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.465 ' O ' ' O ' ' A' ' 2' ' ' SER . 22.5 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.486 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.8 m 58.68 154.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.367 -0.833 . . . . 0.0 109.488 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 2' ' ' SER . 6.7 t70 178.31 75.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.75 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.988 ' O ' HG22 ' A' ' 7' ' ' THR . . . 70.04 -110.98 3.56 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.74 -28.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.613 -0.934 . . . . 0.0 109.75 179.302 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.71 76.2 1.01 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.073 -1.017 . . . . 0.0 109.515 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -177.14 -141.31 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.081 -1.012 . . . . 0.0 109.307 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.537 ' N ' HG23 ' A' ' 7' ' ' THR . 37.8 t70 -99.56 -59.93 1.63 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.935 -1.103 . . . . 0.0 110.137 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.92 -63.74 0.45 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.537 -0.727 . . . . 0.0 109.891 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.82 -51.27 9.68 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.973 -1.079 . . . . 0.0 109.133 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.9 t -48.93 -51.0 32.63 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.3 ptp180 -74.4 -22.39 59.2 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.79 -0.43 57.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.694 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 ttp180 -94.1 -68.76 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.09 -48.28 4.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 109.608 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 25.4 mm100 -44.35 -37.27 3.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -0.889 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 2.8 mtt -41.78 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.439 -0.788 . . . . 0.0 110.067 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HA ' ' CG ' ' A' ' 21' ' ' LYN . . . -40.85 -54.72 2.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.992 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.2 t -42.07 -55.05 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 109.786 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -67.75 -6.43 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.07 . . . . 0.0 110.146 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LYN . . . . . 0.531 ' CG ' ' HA ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 2' ' ' SER . 18.5 t-160 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 10.0 m 60.3 166.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.89 . . . . 0.0 109.504 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -177.36 74.36 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.974 . . . . 0.0 110.147 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.902 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.5 -110.01 2.94 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.842 ' O ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -56.01 -11.83 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.272 . . . . 0.0 110.672 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -108.27 78.87 1.2 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.283 -1.51 . . . . 0.0 108.934 179.498 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 4' ' ' GLY . 3.6 t -179.04 -144.62 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.027 -1.046 . . . . 0.0 109.589 -179.358 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' N ' ' OG1' ' A' ' 7' ' ' THR . 6.7 t0 -91.01 -51.6 5.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.51 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.65 -66.82 0.26 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.428 -0.795 . . . . 0.0 109.423 179.778 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.617 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.97 -44.67 20.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.741 179.805 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 26.7 t -55.51 -33.45 63.75 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.87 -1.143 . . . . 0.0 108.934 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 4.8 ptm180 -88.51 -28.33 20.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.904 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -93.62 -57.46 2.57 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.663 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.09 -59.38 1.01 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.377 0.608 . . . . 0.0 109.426 179.013 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 11' ' ' SER . 5.3 mmmt -46.46 -52.46 13.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 60.6 mm-40 -44.13 -35.74 2.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.2 mmt -44.73 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.238 -0.914 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.69 -58.62 2.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.92 -53.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.699 -0.626 . . . . 0.0 109.51 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -80.25 50.05 1.2 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 0.0 109.585 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.277 0.561 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.3 m -162.74 162.99 27.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.527 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -174.81 73.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.733 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 1.017 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.16 -110.47 3.15 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.602 -1.799 . . . . 0.0 108.602 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.654 -0.909 . . . . 0.0 109.793 179.547 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -109.06 76.12 0.99 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.09 -1.006 . . . . 0.0 109.583 179.507 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 7' ' ' THR . . . . . 1.017 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.09 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.084 -1.01 . . . . 0.0 109.37 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.549 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.35 -61.26 1.39 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.873 -1.142 . . . . 0.0 110.164 -179.408 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.45 -63.33 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.591 -0.693 . . . . 0.0 109.959 -179.548 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.88 -51.24 9.82 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.999 -1.063 . . . . 0.0 109.084 179.798 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 41.4 t -48.97 -51.84 28.22 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 9' ' ' SER . 9.8 ptm180 -73.65 -22.32 60.01 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.89 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.78 -0.94 57.86 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.7 ttt-85 -93.15 -68.17 0.82 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 109.617 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.83 -45.92 3.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 109.706 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 23.8 mm100 -44.48 -39.68 4.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 109.241 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mmt -41.6 -69.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.784 . . . . 0.0 109.986 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.56 -57.72 1.77 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.833 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -38.94 -54.91 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.723 -0.611 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -83.65 -163.32 0.74 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.043 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.48 -110.77 3.3 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.741 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.51 -28.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.555 -0.968 . . . . 0.0 109.732 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.486 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.77 76.7 1.08 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.188 -0.945 . . . . 0.0 109.438 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.37 -144.08 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.086 -1.009 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 7' ' ' THR . 16.6 t70 -96.9 -58.33 2.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.31 -62.3 0.52 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.651 -0.656 . . . . 0.0 109.808 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.69 -50.66 24.33 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.046 -1.034 . . . . 0.0 109.444 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.533 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 37.7 t -48.85 -40.36 29.25 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.834 -1.166 . . . . 0.0 108.831 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 9' ' ' SER . 1.8 ptp180 -85.6 -27.28 25.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -83.24 -36.15 24.82 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -68.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.371 -0.831 . . . . 0.0 108.825 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 11' ' ' SER . 10.3 mttt -47.46 -50.47 22.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 109.519 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.4 mt-30 -40.21 -35.69 0.43 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.487 -0.758 . . . . 0.0 109.486 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.2 mmt -49.02 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.35 -0.844 . . . . 0.0 109.35 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.52 -57.35 3.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.4 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.06 -52.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.776 -0.577 . . . . 0.0 109.507 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 44.8 mtmt . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.009 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.4 -109.72 2.92 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.55 -27.81 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.961 . . . . 0.0 109.941 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.1 75.81 1.05 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.03 -1.043 . . . . 0.0 109.746 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.009 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.9 t -178.79 -144.49 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.037 -1.039 . . . . 0.0 109.719 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 3.9 t0 -96.62 -57.49 2.29 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.067 -1.021 . . . . 0.0 110.201 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -38.8 -66.64 0.26 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.377 -0.827 . . . . 0.0 109.76 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.07 -51.22 5.89 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.881 . . . . 0.0 109.348 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.542 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.5 t -48.17 -49.68 31.66 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' SER . 4.9 ptm180 -74.79 -23.58 58.52 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.71 3.1 55.19 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -101.59 -71.62 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 109.61 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.79 -48.4 4.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 109.662 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 21.1 mm100 -43.82 -47.6 8.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 109.481 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.8 mtt -44.29 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.01 -57.33 2.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.434 -0.791 . . . . 0.0 109.719 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -40.46 -51.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.519 -0.738 . . . . 0.0 109.907 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 15.7 mtmt . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.967 -1.083 . . . . 0.0 110.273 -179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.032 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.95 -109.43 2.8 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.736 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.7 -28.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.579 -0.954 . . . . 0.0 109.842 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.74 76.2 1.05 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.076 -1.015 . . . . 0.0 109.604 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -178.54 -143.29 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.077 -1.014 . . . . 0.0 109.485 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.8 t70 -97.97 -58.99 1.85 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.985 -1.072 . . . . 0.0 110.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.08 -63.48 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.519 -0.738 . . . . 0.0 109.922 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.08 -52.0 9.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.909 -1.119 . . . . 0.0 109.097 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 41.0 t -48.01 -51.12 25.3 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 6.0 ptm180 -74.85 -22.08 58.89 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.29 1.58 56.38 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -102.13 -72.86 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.6 mptt -45.04 -51.46 9.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.148 -0.97 . . . . 0.0 109.529 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 66.9 mm-40 -43.68 -34.95 1.62 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.851 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.7 mmt -45.56 -76.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.04 -58.81 2.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.398 -0.814 . . . . 0.0 109.463 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.18 -54.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.755 -0.591 . . . . 0.0 109.567 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.47 -110.67 3.46 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.583 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.52 -28.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.597 -0.943 . . . . 0.0 109.764 179.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.56 76.14 1.01 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.031 -1.043 . . . . 0.0 109.698 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.61 -141.16 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.058 -1.026 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 7' ' ' THR . 13.5 t70 -99.42 -60.84 1.45 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 110.191 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.66 -63.33 0.47 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.569 -0.707 . . . . 0.0 109.984 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.91 -51.35 9.78 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.934 -1.104 . . . . 0.0 109.203 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -49.41 -52.09 31.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.362 -0.836 . . . . 0.0 108.756 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.0 ptp180 -72.69 -22.35 60.92 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.38 0.43 57.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -108.58 -72.19 0.73 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 109.766 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 11' ' ' SER . 13.6 mmtt -38.9 -44.83 1.1 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.511 -0.743 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 71.4 mm-40 -43.41 -49.74 7.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.315 -0.866 . . . . 0.0 109.373 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.433 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.6 mmt -43.26 -73.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.683 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.01 -58.21 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.475 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.22 -54.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.733 -0.604 . . . . 0.0 109.494 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? . . . . . 0 N--CA 1.49 1.554 0 O-C-N 120.991 -1.068 . . . . 0.0 109.449 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.01 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.85 -110.95 3.33 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -37.31 -29.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.763 -0.846 . . . . 0.0 109.618 179.276 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.59 76.23 1.06 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.172 -0.955 . . . . 0.0 109.486 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.0 t -178.51 -142.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.004 -1.06 . . . . 0.0 109.46 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.575 ' N ' HG23 ' A' ' 7' ' ' THR . 11.8 t70 -98.69 -59.64 1.7 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.993 -1.067 . . . . 0.0 110.172 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.81 -65.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.543 -0.723 . . . . 0.0 109.661 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.82 -50.54 5.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.088 -1.007 . . . . 0.0 109.847 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.6 t -50.7 -30.54 14.04 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.569 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.61 -28.49 20.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.72 -46.65 8.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.113 -0.992 . . . . 0.0 108.33 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -53.09 -58.64 6.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.461 -0.774 . . . . 0.0 109.312 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 11' ' ' SER . 12.3 mmmt -46.11 -50.64 15.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.356 -0.84 . . . . 0.0 109.765 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 69.4 mm-40 -41.96 -39.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 109.697 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.7 mmt -45.79 -76.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.945 . . . . 0.0 109.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.38 -57.35 3.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.488 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -54.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.722 -0.612 . . . . 0.0 109.556 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 25.9 mtmt . . . . . 0 N--CA 1.49 1.543 0 O-C-N 120.996 -1.065 . . . . 0.0 109.508 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.9 t70 . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 121.258 0.551 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.072 ' O ' HG22 ' A' ' 7' ' ' THR . . . 77.45 -106.34 2.22 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -36.92 -30.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.633 -0.922 . . . . 0.0 109.403 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.06 75.01 0.93 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.237 -0.914 . . . . 0.0 109.039 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.072 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.4 t -173.98 -141.66 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.21 -0.931 . . . . 0.0 109.054 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.583 ' N ' HG23 ' A' ' 7' ' ' THR . 14.7 t70 -99.98 -59.31 1.74 Allowed 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.902 -1.124 . . . . 0.0 109.878 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.37 -63.03 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.529 -0.732 . . . . 0.0 110.037 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.606 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.09 9.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 109.167 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 44.4 t -49.08 -52.15 27.41 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.2 ptm85 -73.59 -21.83 60.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.606 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.1 -0.99 57.88 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -94.47 -70.01 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.3 mptt -42.95 -49.02 5.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.0 -45.38 7.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.24 -0.912 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.464 ' CE ' ' CZ ' ' A' ' 13' ' ' TYR . 2.6 mmt -43.82 -73.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.857 . . . . 0.0 109.792 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.33 -57.77 2.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.373 -0.829 . . . . 0.0 109.514 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.98 -53.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.475 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 23.9 mtmt . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -109.66 2.88 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.584 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -39.05 -27.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.58 -0.953 . . . . 0.0 109.874 179.453 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.6 m-85 -109.12 77.31 1.06 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.981 -1.074 . . . . 0.0 109.681 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.5 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.111 -0.993 . . . . 0.0 108.945 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -100.84 -51.8 3.47 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.936 -1.103 . . . . 0.0 109.831 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -42.57 -61.4 1.24 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 109.494 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.605 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.31 -51.57 18.87 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.79 -1.194 . . . . 0.0 108.945 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 43.9 t -48.15 -52.25 21.47 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.7 ptp180 -73.33 -23.72 60.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -87.6 7.81 28.06 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' MET . 0.8 OUTLIER -110.24 -75.47 0.62 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.218 -0.926 . . . . 0.0 109.173 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -47.77 -48.84 29.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.842 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 17' ' ' MET . 13.0 pt20 -46.94 -46.37 21.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.033 -1.042 . . . . 0.0 109.636 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.543 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.94 -71.99 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.265 -0.897 . . . . 0.0 109.766 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.53 -56.39 2.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.472 -0.768 . . . . 0.0 109.823 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -40.78 -54.17 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.544 -0.723 . . . . 0.0 109.663 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? . . . . . 0 N--CA 1.492 1.636 0 O-C-N 120.954 -1.091 . . . . 0.0 109.973 -179.589 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 . . . . . 0 N--CA 1.493 1.712 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.012 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.53 -111.19 3.73 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.74 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.584 -0.95 . . . . 0.0 109.702 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.12 76.38 1.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.081 -1.012 . . . . 0.0 109.6 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.012 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -179.01 -145.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.099 -1.001 . . . . 0.0 109.419 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' SER . 4.8 t0 -96.55 -56.94 2.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.091 -1.006 . . . . 0.0 109.89 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.05 -66.09 0.28 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.707 . . . . 0.0 109.479 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.01 -51.74 7.56 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.488 179.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 47.7 t -48.64 -30.82 5.85 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.146 -0.971 . . . . 0.0 109.24 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 1.6 ptm180 -90.57 -28.89 18.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.387 -0.821 . . . . 0.0 110.156 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.11 -45.0 9.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 108.633 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttt180 -44.37 -64.34 0.7 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.268 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' GLN . 12.0 mptt -43.31 -49.94 6.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.954 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.6 mm100 -42.9 -52.32 5.18 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.62 -71.87 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.427 -0.796 . . . . 0.0 109.606 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.24 -58.13 2.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -0.867 . . . . 0.0 109.56 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -55.13 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.758 -0.589 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 26.9 mtmt . . . . . 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.516 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 . . . . . 0 N--CA 1.492 1.654 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.975 ' O ' HG22 ' A' ' 7' ' ' THR . . . 71.0 -111.38 3.68 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -36.99 -30.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.789 -0.83 . . . . 0.0 109.677 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -107.66 75.71 1.02 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.198 -0.938 . . . . 0.0 109.854 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.975 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.9 t -176.43 -141.09 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.128 -0.982 . . . . 0.0 109.039 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t70 -100.1 -60.69 1.48 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 110.112 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -38.73 -64.38 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.501 -0.749 . . . . 0.0 110.154 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -42.4 -48.6 5.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.002 -1.061 . . . . 0.0 109.628 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 28.3 t -53.98 -57.6 10.39 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.637 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.0 ptp180 -64.65 -23.63 67.32 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.43 4.82 47.83 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 3.2 mmp_? -106.06 -73.25 0.69 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.8 mmtt -43.86 -59.89 2.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.4 -0.812 . . . . 0.0 109.04 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 17' ' ' MET . 3.6 pt20 -43.72 -37.12 2.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.408 -0.808 . . . . 0.0 109.695 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.512 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 ttm -41.23 -69.37 0.14 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.826 . . . . 0.0 110.149 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.69 -55.76 2.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.344 -0.848 . . . . 0.0 109.957 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.5 t -41.26 -54.62 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.541 -0.724 . . . . 0.0 109.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt . . . . . 0 N--CA 1.492 1.657 0 O-C-N 120.92 -1.112 . . . . 0.0 110.098 -179.474 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.5 ' O ' ' N ' ' A' ' 5' ' ' ILE . 5.5 m-20 . . . . . 0 N--CA 1.483 1.181 0 CA-C-O 121.217 0.532 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.078 ' O ' HG22 ' A' ' 7' ' ' THR . . . 48.54 -98.14 0.02 OUTLIER Glycine 0 N--CA 1.493 2.487 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.5 -28.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.367 -1.078 . . . . 0.0 109.229 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.68 76.65 1.03 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.304 -0.872 . . . . 0.0 109.3 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.078 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.3 t -179.06 -141.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.977 -1.077 . . . . 0.0 109.489 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' SER . 21.0 t0 -99.5 -58.75 1.86 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.985 -1.072 . . . . 0.0 110.165 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.99 -64.04 0.43 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.834 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.974 -1.079 . . . . 0.0 109.148 179.688 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 35.1 t -47.57 -50.48 23.83 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.8 ptm180 -75.28 -22.71 57.55 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.64 -1.87 58.3 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.605 -0.684 . . . . 0.0 109.266 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -92.28 -71.81 0.62 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -0.981 . . . . 0.0 109.204 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.6 mptp? -42.33 -38.19 1.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.311 -0.868 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mt-30 -42.48 -44.55 4.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.0 109.526 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 23.7 mmt -44.42 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.485 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.6 -57.81 2.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.13 -54.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.689 -0.632 . . . . 0.0 109.493 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 36.2 mtmt . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.102 -0.998 . . . . 0.0 109.563 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 . . . . . 0 N--CA 1.492 1.627 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.016 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.3 -110.39 3.12 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.41 -28.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.707 -0.878 . . . . 0.0 109.81 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -109.09 76.43 1.0 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.111 -0.993 . . . . 0.0 109.561 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.016 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.71 -140.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.073 -1.017 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -100.12 -60.25 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.948 -1.095 . . . . 0.0 110.089 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.73 -63.68 0.45 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.59 -0.694 . . . . 0.0 109.915 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.44 -52.16 8.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.979 -1.075 . . . . 0.0 109.205 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.6 t -48.59 -50.77 31.05 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -74.87 -22.57 58.59 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.01 -2.13 58.44 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' TYR . 4.8 ttt85 -92.59 -71.41 0.65 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.1 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ARG . 2.5 mptt -42.18 -38.19 1.66 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.0 109.727 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 62.8 mt-30 -43.02 -48.54 6.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mtt -43.95 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.17 -57.28 3.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.0 109.402 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.03 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.694 -0.629 . . . . 0.0 109.452 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 179.937 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.492 1.656 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -110.37 3.12 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.894 . . . . 0.0 109.84 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.09 76.31 1.0 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.083 -1.011 . . . . 0.0 109.622 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.56 -140.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.011 . . . . 0.0 109.31 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.541 ' N ' HG23 ' A' ' 7' ' ' THR . 11.2 t70 -100.45 -60.78 1.46 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.933 -1.105 . . . . 0.0 110.155 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.71 -63.1 0.49 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.554 -0.716 . . . . 0.0 109.946 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.96 -51.66 9.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.941 -1.099 . . . . 0.0 109.138 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 41.9 t -48.71 -51.66 27.56 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.4 ptp180 -73.95 -21.92 59.84 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.35 0.0 57.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttp85 -95.85 -70.71 0.7 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.629 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.7 -47.09 5.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LYS . 26.4 mm100 -43.16 -47.48 6.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.6 mtt -44.41 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.28 -57.06 2.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.0 -53.26 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.743 -0.598 . . . . 0.0 109.636 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmp? . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.031 . . . . 0.0 109.828 -179.81 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 . . . . . 0 N--CA 1.491 1.624 0 N-CA-C 109.917 -0.401 . . . . 0.0 109.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.026 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.18 -109.73 2.9 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.74 -28.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.926 . . . . 0.0 109.788 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.71 76.12 1.05 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.631 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.026 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -178.63 -143.66 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.036 -1.04 . . . . 0.0 109.466 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.1 t70 -97.8 -58.67 1.93 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 0.0 110.1 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.06 -64.14 0.43 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.553 -0.717 . . . . 0.0 109.885 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.61 -52.12 8.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.944 -1.097 . . . . 0.0 109.124 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.2 t -48.13 -50.67 27.82 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -75.16 -22.79 57.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.98 0.61 56.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.7 ttp-105 -103.22 -73.27 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.163 -0.961 . . . . 0.0 109.479 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.04 -55.21 10.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' A' ' 13' ' ' TYR . 11.9 pt20 -43.5 -36.19 1.94 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 109.427 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.486 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 11.3 mtt -44.63 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.91 -58.65 2.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.0 109.473 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.71 -53.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.775 -0.578 . . . . 0.0 109.561 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt . . . . . 0 N--CA 1.489 1.517 0 O-C-N 121.097 -1.002 . . . . 0.0 109.709 -179.852 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.004 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.08 -110.47 3.16 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.38 -28.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.637 -0.92 . . . . 0.0 109.849 179.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -108.97 76.39 1.01 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.037 -1.04 . . . . 0.0 109.593 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.53 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.09 -1.006 . . . . 0.0 109.284 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 7' ' ' THR . 19.7 t70 -99.92 -59.67 1.67 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.994 -1.066 . . . . 0.0 110.085 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.87 -63.8 0.44 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.498 -0.751 . . . . 0.0 109.883 -179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.74 8.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.968 -1.083 . . . . 0.0 109.185 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.529 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 43.5 t -48.8 -51.08 31.25 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.0 ptm180 -74.31 -21.89 59.51 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.5 2.19 55.96 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -109.56 -75.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 109.453 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.5 -49.56 7.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 109.385 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -44.01 -37.43 2.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.271 -0.893 . . . . 0.0 109.403 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.467 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 8.5 mmt -41.01 -64.34 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.183 -0.948 . . . . 0.0 110.231 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -37.83 -54.55 1.25 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.483 -0.761 . . . . 0.0 110.447 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.4 t -38.89 -53.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.57 -0.706 . . . . 0.0 109.597 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 16' ' ' GLN . 40.7 mtmt . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.509 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.5 t70 . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.995 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.6 -110.78 3.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.14 -28.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.671 -0.9 . . . . 0.0 109.802 179.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -108.23 76.64 1.05 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.041 -1.037 . . . . 0.0 109.573 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.995 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.7 t -179.37 -143.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.047 -1.033 . . . . 0.0 109.491 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.51 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -97.98 -59.46 1.76 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.021 -1.049 . . . . 0.0 110.046 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -37.29 -63.48 0.44 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 0.0 109.893 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.23 -52.13 13.06 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.023 -1.048 . . . . 0.0 109.446 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.7 t -50.0 -40.85 45.76 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.892 -1.13 . . . . 0.0 109.0 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.0 ptp180 -85.03 -24.86 27.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.335 -0.853 . . . . 0.0 109.586 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -83.69 -34.25 24.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 0.0 108.897 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 6.3 ttt-85 -51.84 -72.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.484 -0.76 . . . . 0.0 109.093 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.01 -51.0 14.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 109.36 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.5 mt-30 -43.37 -36.26 1.84 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.32 -0.863 . . . . 0.0 109.345 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 15.2 mmt -42.54 -72.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.378 -0.826 . . . . 0.0 109.739 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.96 -58.74 2.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 0.0 109.527 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -39.13 -54.93 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.739 -0.601 . . . . 0.0 109.505 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.01 -1.056 . . . . 0.0 109.46 179.955 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 t70 . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.04 -111.19 3.41 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.733 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -40.89 -27.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.405 -1.056 . . . . 0.0 109.655 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.25 77.25 1.13 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.52 -144.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.127 -0.983 . . . . 0.0 109.21 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 7' ' ' THR . 26.5 t0 -96.51 -57.31 2.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.037 -1.04 . . . . 0.0 109.544 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.6 -62.21 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.643 -0.661 . . . . 0.0 109.734 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.99 -50.61 26.94 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -48.8 -40.71 30.13 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.833 -1.167 . . . . 0.0 108.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.1 ptp180 -83.88 -25.75 29.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.316 -0.865 . . . . 0.0 110.051 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.96 -28.27 21.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.0 109.096 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 10' ' ' TYR . 12.4 ttt85 -70.24 -63.34 1.1 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.271 -0.893 . . . . 0.0 109.56 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -42.14 -46.91 4.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.316 -0.865 . . . . 0.0 109.856 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 83.4 mm-40 -43.49 -38.43 2.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.289 -0.882 . . . . 0.0 109.341 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' ALA . 19.2 mmt -43.7 -72.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.6 -57.83 2.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 0.0 109.791 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.05 -54.5 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 109.533 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.101 -0.999 . . . . 0.0 109.445 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.154 0.502 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.08 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.04 -104.77 1.86 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.745 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -36.88 -30.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.94 . . . . 0.0 109.482 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.67 75.34 0.96 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 178.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.08 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.2 t -175.82 -142.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.106 -0.996 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.544 ' N ' HG23 ' A' ' 7' ' ' THR . 17.1 t70 -99.25 -59.7 1.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.942 -1.099 . . . . 0.0 110.034 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.07 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.544 -0.723 . . . . 0.0 110.014 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.63 9.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.903 -1.123 . . . . 0.0 109.17 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.4 t -48.14 -52.3 21.18 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.7 ptm180 -73.75 -22.08 59.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.11 -0.24 57.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.62 -0.675 . . . . 0.0 109.185 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.9 ttt180 -99.2 -72.22 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.548 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -44.47 -50.43 9.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 68.4 mm-40 -44.91 -34.65 2.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.31 -0.869 . . . . 0.0 109.437 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.9 mmt -45.59 -75.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.0 109.717 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.22 -57.68 2.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 109.384 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -39.34 -53.77 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.726 -0.609 . . . . 0.0 109.496 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? . . . . . 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 109.536 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.7 t70 . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 121.1 0.476 . . . . 0.0 109.758 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.075 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.07 -104.43 1.56 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.735 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.16 -29.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.577 -0.955 . . . . 0.0 109.63 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -109.37 76.3 0.99 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.221 -0.925 . . . . 0.0 109.271 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.075 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -177.63 -140.17 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.137 -0.977 . . . . 0.0 109.425 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.77 -60.1 1.58 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.956 -1.09 . . . . 0.0 110.135 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.54 -63.21 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.568 -0.707 . . . . 0.0 109.964 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -52.64 8.1 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.986 -1.071 . . . . 0.0 109.099 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.558 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 39.9 t -47.37 -51.13 20.56 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -74.89 -22.29 58.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 108.68 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.86 -0.37 57.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.644 -0.66 . . . . 0.0 109.221 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.5 ttt180 -95.37 -70.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.558 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.17 -44.39 3.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.733 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mm-40 -43.11 -46.47 5.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 57.1 mtt -44.14 -75.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.11 -57.6 2.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.73 -53.5 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.817 -0.552 . . . . 0.0 109.531 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 0.0 109.644 -179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 . . . . . 0 N--CA 1.485 1.287 0 CA-C-O 121.31 0.576 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.058 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.22 -106.49 2.16 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.97 -31.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.919 . . . . 0.0 109.379 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -109.42 75.14 0.93 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.08 179.088 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.058 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.9 t -174.0 -141.17 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.198 -0.939 . . . . 0.0 109.006 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.577 ' N ' HG23 ' A' ' 7' ' ' THR . 16.3 t70 -100.17 -59.59 1.68 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.909 -1.119 . . . . 0.0 109.989 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.47 -63.03 0.53 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.024 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.46 -51.04 9.08 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.891 -1.131 . . . . 0.0 109.145 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.5 t -48.71 -54.31 15.36 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -70.92 -21.82 62.32 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -91.63 4.35 52.88 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.6 -76.51 0.57 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -41.64 -44.9 3.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 109.705 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 69.5 mm-40 -51.09 -59.27 4.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.198 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.7 mtt -42.34 -70.92 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 109.764 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.87 -56.44 2.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.492 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.1 t -39.44 -54.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.409 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 13.3 mtmt . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.057 -1.027 . . . . 0.0 109.389 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 121.322 0.582 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.088 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.76 -106.16 2.14 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.77 -31.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.698 -0.884 . . . . 0.0 109.342 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -109.16 75.02 0.93 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.265 -0.897 . . . . 0.0 109.005 178.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.088 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.2 t -174.05 -141.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.168 -0.957 . . . . 0.0 109.03 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 7' ' ' THR . 14.9 t70 -99.86 -59.55 1.69 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.917 -1.114 . . . . 0.0 109.917 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.12 0.51 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.534 -0.729 . . . . 0.0 109.994 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.12 9.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.904 -1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 40.6 t -49.44 -50.76 39.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 108.78 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.2 ptm180 -74.75 -22.36 58.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.858 . . . . 0.0 108.92 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.89 -6.45 57.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.563 -0.711 . . . . 0.0 109.286 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' TYR . 6.1 ttt180 -96.11 -68.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.737 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' SER . 1.2 mmtt -40.44 -51.56 2.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.447 -0.783 . . . . 0.0 109.605 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.83 -35.95 3.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -42.83 -72.97 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 109.819 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.32 -58.75 2.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 109.638 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.83 -54.42 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.793 -0.567 . . . . 0.0 109.535 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.2 ptpt . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.572 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 . . . . . 0 N--CA 1.492 1.652 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.16 -111.44 3.92 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 108.383 -1.887 . . . . 0.0 108.383 -179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.37 -27.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.931 . . . . 0.0 109.679 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.65 77.14 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.059 -1.026 . . . . 0.0 109.524 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.1 t -178.96 -144.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.025 -1.047 . . . . 0.0 109.398 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.507 ' N ' HG23 ' A' ' 7' ' ' THR . 20.2 t70 -97.32 -56.95 2.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.064 -1.023 . . . . 0.0 109.858 -179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.2 -65.56 0.33 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.61 -0.681 . . . . 0.0 109.567 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.57 -52.84 6.02 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.202 -0.936 . . . . 0.0 109.482 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 46.0 t -47.16 -32.56 4.42 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 109.164 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.47 -28.32 18.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.697 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.85 -44.63 10.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.195 -0.94 . . . . 0.0 108.805 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.3 ttt85 -42.43 -62.93 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.843 . . . . 0.0 109.601 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 11' ' ' SER . 6.2 mptt -45.87 -50.77 14.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.885 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.1 mm100 -42.66 -38.56 2.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.299 -0.876 . . . . 0.0 109.554 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.438 ' O ' ' C ' ' A' ' 18' ' ' ALA . 29.7 mmt -46.97 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.242 -0.911 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.28 -56.92 2.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.465 -0.772 . . . . 0.0 109.506 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.2 -52.89 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.697 -0.627 . . . . 0.0 109.541 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.0 mtmp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.077 -1.014 . . . . 0.0 109.834 -179.836 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 . . . . . 0 N--CA 1.485 1.285 0 CA-C-O 121.313 0.578 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.081 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.72 -107.15 2.26 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.698 -1.761 . . . . 0.0 108.698 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -35.7 -32.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.791 -0.829 . . . . 0.0 109.369 179.469 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -107.74 75.07 0.99 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.181 179.228 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.081 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.4 t -175.68 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 109.118 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.573 ' N ' HG23 ' A' ' 7' ' ' THR . 14.3 t70 -97.81 -58.78 1.91 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.002 -1.061 . . . . 0.0 109.756 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -36.49 -62.56 0.45 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.658 -0.651 . . . . 0.0 109.885 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -48.79 -46.43 41.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.621 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -54.73 -31.3 58.12 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.839 -1.163 . . . . 0.0 108.889 -179.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.25 -28.72 18.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.426 -0.796 . . . . 0.0 109.852 179.589 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -92.31 -56.25 3.12 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.564 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -39.8 -59.56 1.15 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 11' ' ' SER . 11.0 mmmt -47.03 -52.19 15.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.358 -0.839 . . . . 0.0 109.525 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.0 mm100 -43.28 -39.13 2.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 109.455 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.3 mmt -43.78 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 109.823 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.34 -57.99 2.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.553 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.37 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.741 -0.6 . . . . 0.0 109.488 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.446 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 18.9 mtmt . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.565 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.7 t70 . . . . . 0 N--CA 1.493 1.699 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.988 ' O ' HG22 ' A' ' 7' ' ' THR . . . 70.04 -110.98 3.56 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.74 -28.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.613 -0.934 . . . . 0.0 109.75 179.302 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.71 76.2 1.01 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.073 -1.017 . . . . 0.0 109.515 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -177.14 -141.31 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.081 -1.012 . . . . 0.0 109.307 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.537 ' N ' HG23 ' A' ' 7' ' ' THR . 37.8 t70 -99.56 -59.93 1.63 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.935 -1.103 . . . . 0.0 110.137 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.92 -63.74 0.45 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.537 -0.727 . . . . 0.0 109.891 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.82 -51.27 9.68 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.973 -1.079 . . . . 0.0 109.133 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.9 t -48.93 -51.0 32.63 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.3 ptp180 -74.4 -22.39 59.2 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.79 -0.43 57.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.694 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 ttp180 -94.1 -68.76 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.09 -48.28 4.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 109.608 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 25.4 mm100 -44.35 -37.27 3.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -0.889 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 2.8 mtt -41.78 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.439 -0.788 . . . . 0.0 110.067 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.85 -54.72 2.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.992 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.2 t -42.07 -55.05 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 109.786 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt . . . . . 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.07 . . . . 0.0 110.146 -179.441 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 . . . . . 0 N--CA 1.492 1.629 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 0.902 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.5 -110.01 2.94 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.842 HD13 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -56.01 -11.83 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.272 . . . . 0.0 110.672 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -108.27 78.87 1.2 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.283 -1.51 . . . . 0.0 108.934 179.498 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 4' ' ' GLY . 3.6 t -179.04 -144.62 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.027 -1.046 . . . . 0.0 109.589 -179.358 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.532 ' N ' ' OG1' ' A' ' 7' ' ' THR . 6.7 t0 -91.01 -51.6 5.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.51 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.65 -66.82 0.26 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.428 -0.795 . . . . 0.0 109.423 179.778 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.617 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.97 -44.67 20.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.741 179.805 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 26.7 t -55.51 -33.45 63.75 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.87 -1.143 . . . . 0.0 108.934 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 4.8 ptm180 -88.51 -28.33 20.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.904 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -93.62 -57.46 2.57 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.663 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.09 -59.38 1.01 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.377 0.608 . . . . 0.0 109.426 179.013 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 11' ' ' SER . 5.3 mmmt -46.46 -52.46 13.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 60.6 mm-40 -44.13 -35.74 2.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.2 mmt -44.73 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.238 -0.914 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.69 -58.62 2.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.92 -53.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.699 -0.626 . . . . 0.0 109.51 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 0.0 109.585 179.937 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' GLY . . . . . 1.017 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.16 -110.47 3.15 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.602 -1.799 . . . . 0.0 108.602 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.654 -0.909 . . . . 0.0 109.793 179.547 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -109.06 76.12 0.99 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.09 -1.006 . . . . 0.0 109.583 179.507 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 1.017 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.09 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.084 -1.01 . . . . 0.0 109.37 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.549 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.35 -61.26 1.39 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.873 -1.142 . . . . 0.0 110.164 -179.408 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.45 -63.33 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.591 -0.693 . . . . 0.0 109.959 -179.548 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.88 -51.24 9.82 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.999 -1.063 . . . . 0.0 109.084 179.798 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 41.4 t -48.97 -51.84 28.22 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 9' ' ' SER . 9.8 ptm180 -73.65 -22.32 60.01 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.78 -0.94 57.86 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.7 ttt-85 -93.15 -68.17 0.82 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 109.617 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.83 -45.92 3.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 109.706 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 23.8 mm100 -44.48 -39.68 4.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 109.241 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mmt -41.6 -69.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.784 . . . . 0.0 109.986 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.56 -57.72 1.77 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.833 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -38.94 -54.91 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.723 -0.611 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 179.931 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 16.9 t-160 . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.521 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.3 m -165.73 164.38 18.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.236 -0.915 . . . . 0.0 109.578 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -168.79 70.76 0.08 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.154 -0.966 . . . . 0.0 110.01 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.043 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.48 -110.77 3.3 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 108.699 -1.76 . . . . 0.0 108.699 -179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.741 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.51 -28.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 O-C-N 121.555 -0.968 . . . . 0.0 109.732 179.585 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -107.77 76.7 1.08 Allowed 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.188 -0.945 . . . . 0.0 109.438 179.368 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.043 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.37 -144.08 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.086 -1.009 . . . . 0.0 109.263 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.487 ' N ' HG23 ' A' ' 7' ' ' THR . 16.6 t70 -96.9 -58.33 2.06 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.036 -1.04 . . . . 0.0 109.728 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.518 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.31 -62.3 0.52 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.651 -0.656 . . . . 0.0 109.808 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.613 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.69 -50.66 24.33 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 121.046 -1.034 . . . . 0.0 109.444 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.533 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 37.7 t -48.85 -40.36 29.25 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 120.834 -1.166 . . . . 0.0 108.831 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 9' ' ' SER . 1.8 ptp180 -85.6 -27.28 25.58 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 109.989 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -83.24 -36.15 24.82 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.56 -68.72 0.15 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.371 -0.831 . . . . 0.0 108.825 179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.528 ' CE ' ' O ' ' A' ' 11' ' ' SER . 10.3 mttt -47.46 -50.47 22.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.287 -0.883 . . . . 0.0 109.519 179.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.455 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.4 mt-30 -40.21 -35.69 0.43 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.487 -0.758 . . . . 0.0 109.486 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.431 ' O ' ' C ' ' A' ' 18' ' ' ALA . 17.2 mmt -49.02 -77.5 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.35 -0.844 . . . . 0.0 109.35 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.468 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.52 -57.35 3.16 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.316 -0.865 . . . . 0.0 109.4 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.06 -52.91 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.776 -0.577 . . . . 0.0 109.507 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.447 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 44.8 mtmt -72.79 54.39 0.36 Allowed 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.101 -0.999 . . . . 0.0 109.654 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 12.0 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -171.78 156.89 4.4 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.233 -0.917 . . . . 0.0 109.594 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -158.84 67.62 0.44 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.146 -0.971 . . . . 0.0 109.374 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.009 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.4 -109.72 2.92 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 108.505 -1.838 . . . . 0.0 108.505 -179.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.55 -27.81 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.567 -0.961 . . . . 0.0 109.941 179.435 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.1 75.81 1.05 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.03 -1.043 . . . . 0.0 109.746 179.782 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.009 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.9 t -178.79 -144.49 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.037 -1.039 . . . . 0.0 109.719 179.588 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.483 ' O ' ' C ' ' A' ' 9' ' ' SER . 3.9 t0 -96.62 -57.49 2.29 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.067 -1.021 . . . . 0.0 110.201 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -38.8 -66.64 0.26 Allowed 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.377 -0.827 . . . . 0.0 109.76 -179.728 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.599 ' CD1' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.07 -51.22 5.89 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.29 -0.881 . . . . 0.0 109.348 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.542 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.5 t -48.17 -49.68 31.66 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 9' ' ' SER . 4.9 ptm180 -74.79 -23.58 58.52 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.598 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.71 3.1 55.19 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -101.59 -71.62 0.71 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 109.61 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.79 -48.4 4.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.315 -0.865 . . . . 0.0 109.662 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.413 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 21.1 mm100 -43.82 -47.6 8.15 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.26 -0.9 . . . . 0.0 109.481 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.44 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.8 mtt -44.29 -74.62 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.205 -0.934 . . . . 0.0 109.92 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.532 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -42.01 -57.33 2.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.434 -0.791 . . . . 0.0 109.719 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -40.46 -51.35 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 121.519 -0.738 . . . . 0.0 109.907 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.413 ' HE2' ' HB3' ' A' ' 16' ' ' GLN . 15.7 mtmt -83.67 17.79 2.14 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.967 -1.083 . . . . 0.0 110.273 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.532 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 13.4 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.6 m -165.45 162.96 19.68 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.25 -0.906 . . . . 0.0 109.439 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -166.7 70.21 0.11 Allowed 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.103 -0.998 . . . . 0.0 110.002 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.032 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.95 -109.43 2.8 Favored Glycine 0 N--CA 1.493 2.485 0 N-CA-C 108.811 -1.716 . . . . 0.0 108.811 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.736 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.7 -28.37 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.579 -0.954 . . . . 0.0 109.842 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.51 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -107.74 76.2 1.05 Allowed 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.076 -1.015 . . . . 0.0 109.604 179.608 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.032 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -178.54 -143.29 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.077 -1.014 . . . . 0.0 109.485 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.482 ' O ' ' C ' ' A' ' 9' ' ' SER . 20.8 t70 -97.97 -58.99 1.85 Allowed 'General case' 0 N--CA 1.487 1.38 0 O-C-N 120.985 -1.072 . . . . 0.0 110.112 -179.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.08 -63.48 0.48 Allowed 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.519 -0.738 . . . . 0.0 109.922 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.61 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -45.08 -52.0 9.53 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 120.909 -1.119 . . . . 0.0 109.097 179.755 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 41.0 t -48.01 -51.12 25.3 Favored 'General case' 0 C--N 1.302 -1.464 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 6.0 ptm180 -74.85 -22.08 58.89 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 178.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.61 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.29 1.58 56.38 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 -179.678 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.492 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -102.13 -72.86 0.67 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.19 -0.944 . . . . 0.0 109.604 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' C ' ' A' ' 16' ' ' GLN . 3.6 mptt -45.04 -51.46 9.99 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.148 -0.97 . . . . 0.0 109.529 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' C ' ' O ' ' A' ' 15' ' ' LYS . 66.9 mm-40 -43.68 -34.95 1.62 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.339 -0.851 . . . . 0.0 109.529 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.7 mmt -45.56 -76.82 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.227 -0.921 . . . . 0.0 109.605 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.04 -58.81 2.28 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.398 -0.814 . . . . 0.0 109.463 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.18 -54.65 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.755 -0.591 . . . . 0.0 109.567 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 40.2 mtmt -77.0 -155.41 0.07 Allowed 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.04 -1.037 . . . . 0.0 109.54 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.44 ' HG3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 2' ' ' SER . 21.4 t-160 . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.499 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.8 m 58.69 154.12 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.345 -0.847 . . . . 0.0 109.466 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 2' ' ' SER . 7.5 t70 178.52 75.9 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.058 -1.026 . . . . 0.0 109.669 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.002 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.47 -110.67 3.46 Favored Glycine 0 N--CA 1.494 2.541 0 N-CA-C 108.48 -1.848 . . . . 0.0 108.48 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.583 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.52 -28.02 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.597 -0.943 . . . . 0.0 109.764 179.365 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.56 76.14 1.01 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.031 -1.043 . . . . 0.0 109.698 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.002 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.61 -141.16 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.058 -1.026 . . . . 0.0 109.335 179.635 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' N ' HG23 ' A' ' 7' ' ' THR . 13.5 t70 -99.42 -60.84 1.45 Allowed 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.937 -1.102 . . . . 0.0 110.191 -179.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.66 -63.33 0.47 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.569 -0.707 . . . . 0.0 109.984 -179.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.609 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.91 -51.35 9.78 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 120.934 -1.104 . . . . 0.0 109.203 179.806 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.545 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -49.41 -52.09 31.0 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.362 -0.836 . . . . 0.0 108.756 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.0 ptp180 -72.69 -22.35 60.92 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 178.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.609 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.38 0.43 57.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 -179.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -108.58 -72.19 0.73 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.223 -0.923 . . . . 0.0 109.766 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 11' ' ' SER . 13.6 mmtt -38.9 -44.83 1.1 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.511 -0.743 . . . . 0.0 109.803 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 71.4 mm-40 -43.41 -49.74 7.03 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.315 -0.866 . . . . 0.0 109.373 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.473 ' O ' ' HG2' ' A' ' 21' ' ' LYN . 22.6 mmt -43.26 -73.36 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.683 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.01 -58.21 2.53 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.326 -0.859 . . . . 0.0 109.475 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.22 -54.62 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.733 -0.604 . . . . 0.0 109.494 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? -83.41 47.74 1.3 Allowed 'General case' 0 N--CA 1.49 1.554 0 O-C-N 120.991 -1.068 . . . . 0.0 109.449 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.473 ' HG2' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.406 ' CG ' ' N ' ' A' ' 2' ' ' SER . 75.4 t60 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -160.98 158.62 28.3 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.306 -0.871 . . . . 0.0 109.415 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -167.03 70.96 0.11 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.05 -1.031 . . . . 0.0 109.587 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.01 ' O ' HG22 ' A' ' 7' ' ' THR . . . 72.85 -110.95 3.33 Favored Glycine 0 N--CA 1.492 2.377 0 N-CA-C 108.402 -1.879 . . . . 0.0 108.402 -179.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -37.31 -29.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.763 -0.846 . . . . 0.0 109.618 179.276 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.59 76.23 1.06 Allowed 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.172 -0.955 . . . . 0.0 109.486 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.01 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.0 t -178.51 -142.26 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.004 -1.06 . . . . 0.0 109.46 179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.575 ' N ' HG23 ' A' ' 7' ' ' THR . 11.8 t70 -98.69 -59.64 1.7 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.993 -1.067 . . . . 0.0 110.172 -179.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.545 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -37.81 -65.68 0.31 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.543 -0.723 . . . . 0.0 109.661 -179.67 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.584 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -42.82 -50.54 5.66 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.088 -1.007 . . . . 0.0 109.847 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.552 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.6 t -50.7 -30.54 14.04 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 120.966 -1.084 . . . . 0.0 109.337 -179.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.569 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.61 -28.49 20.64 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.72 -46.65 8.12 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.113 -0.992 . . . . 0.0 108.33 179.626 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.534 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -53.09 -58.64 6.33 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.461 -0.774 . . . . 0.0 109.312 179.363 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.489 ' HG2' ' O ' ' A' ' 11' ' ' SER . 12.3 mmmt -46.11 -50.64 15.13 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.356 -0.84 . . . . 0.0 109.765 -179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 69.4 mm-40 -41.96 -39.03 1.75 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.346 -0.846 . . . . 0.0 109.697 -179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 18' ' ' ALA . 10.7 mmt -45.79 -76.77 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.189 -0.945 . . . . 0.0 109.544 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.38 -57.35 3.09 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.342 -0.849 . . . . 0.0 109.488 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -54.7 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 121.722 -0.612 . . . . 0.0 109.556 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 16' ' ' GLN . 25.9 mtmt -68.91 -160.34 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.996 -1.065 . . . . 0.0 109.508 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.424 ' HD3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.54 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 49.3 p-80 . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 6' ' ' PHE . 69.3 m 50.97 25.3 2.17 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.114 -0.991 . . . . 0.0 109.486 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -124.45 52.26 1.53 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.161 -0.962 . . . . 0.0 110.361 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.072 ' O ' HG22 ' A' ' 7' ' ' THR . . . 77.45 -106.34 2.22 Favored Glycine 0 N--CA 1.495 2.625 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.5 OUTLIER -36.92 -30.91 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 O-C-N 121.633 -0.922 . . . . 0.0 109.403 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.519 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.06 75.01 0.93 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.237 -0.914 . . . . 0.0 109.039 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.072 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.4 t -173.98 -141.66 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.21 -0.931 . . . . 0.0 109.054 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.583 ' N ' HG23 ' A' ' 7' ' ' THR . 14.7 t70 -99.98 -59.31 1.74 Allowed 'General case' 0 C--N 1.304 -1.372 0 O-C-N 120.902 -1.124 . . . . 0.0 109.878 -179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.37 -63.03 0.53 Allowed 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.529 -0.732 . . . . 0.0 110.037 -179.693 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.606 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.09 9.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 120.871 -1.143 . . . . 0.0 109.167 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 44.4 t -49.08 -52.15 27.41 Favored 'General case' 0 C--N 1.302 -1.465 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.2 ptm85 -73.59 -21.83 60.21 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 178.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.606 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.1 -0.99 57.88 Favored 'General case' 0 N--CA 1.487 1.419 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.653 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -94.47 -70.01 0.73 Allowed 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.224 -0.923 . . . . 0.0 109.482 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 6.3 mptt -42.95 -49.02 5.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.302 -0.874 . . . . 0.0 109.557 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.0 -45.38 7.82 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.24 -0.912 . . . . 0.0 109.38 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.464 ' CE ' ' CZ ' ' A' ' 13' ' ' TYR . 2.6 mmt -43.82 -73.52 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.328 -0.857 . . . . 0.0 109.792 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.33 -57.77 2.45 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.373 -0.829 . . . . 0.0 109.514 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.98 -53.98 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.726 -0.609 . . . . 0.0 109.475 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.449 ' HE2' ' O ' ' A' ' 16' ' ' GLN . 23.9 mtmt -86.5 45.5 1.25 Allowed 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.48 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -170.48 158.74 6.56 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.223 -0.923 . . . . 0.0 109.445 179.828 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -171.25 72.82 0.05 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.072 -1.018 . . . . 0.0 109.611 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -109.66 2.88 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 108.567 -1.813 . . . . 0.0 108.567 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.584 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.8 OUTLIER -39.05 -27.92 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.58 -0.953 . . . . 0.0 109.874 179.453 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.6 m-85 -109.12 77.31 1.06 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.981 -1.074 . . . . 0.0 109.681 179.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.5 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.111 -0.993 . . . . 0.0 108.945 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' CG ' ' N ' ' A' ' 9' ' ' SER . 1.0 OUTLIER -100.84 -51.8 3.47 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.936 -1.103 . . . . 0.0 109.831 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.3 OUTLIER -42.57 -61.4 1.24 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.185 -0.947 . . . . 0.0 109.494 179.777 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.605 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -47.31 -51.57 18.87 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 120.79 -1.194 . . . . 0.0 108.945 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 43.9 t -48.15 -52.25 21.47 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.7 ptp180 -73.33 -23.72 60.27 Favored 'General case' 0 N--CA 1.489 1.496 0 N-CA-C 108.548 -0.908 . . . . 0.0 108.548 178.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.605 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -87.6 7.81 28.06 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 -179.788 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' MET . 0.8 OUTLIER -110.24 -75.47 0.62 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.218 -0.926 . . . . 0.0 109.173 179.608 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.488 ' HD3' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -47.77 -48.84 29.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.225 -0.922 . . . . 0.0 109.842 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.543 ' HG3' ' N ' ' A' ' 17' ' ' MET . 13.0 pt20 -46.94 -46.37 21.39 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.033 -1.042 . . . . 0.0 109.636 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.543 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.94 -71.99 0.07 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.265 -0.897 . . . . 0.0 109.766 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -40.53 -56.39 2.08 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.472 -0.768 . . . . 0.0 109.823 -179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -40.78 -54.17 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.544 -0.723 . . . . 0.0 109.663 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -84.7 15.05 4.09 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.954 -1.091 . . . . 0.0 109.973 -179.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.454 ' O ' ' O ' ' A' ' 2' ' ' SER . 20.9 t-160 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.497 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 30.9 m 57.32 158.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.349 -0.844 . . . . 0.0 109.524 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -177.35 74.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.09 -1.006 . . . . 0.0 109.792 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.012 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.53 -111.19 3.73 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.535 -1.826 . . . . 0.0 108.535 -179.498 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.74 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.92 -28.06 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.584 -0.95 . . . . 0.0 109.702 179.311 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.12 76.38 1.09 Allowed 'General case' 0 C--N 1.305 -1.363 0 O-C-N 121.081 -1.012 . . . . 0.0 109.6 179.59 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.012 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -179.01 -145.2 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.099 -1.001 . . . . 0.0 109.419 179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' O ' ' C ' ' A' ' 9' ' ' SER . 4.8 t0 -96.55 -56.94 2.44 Favored 'General case' 0 C--N 1.305 -1.349 0 O-C-N 121.091 -1.006 . . . . 0.0 109.89 -179.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.533 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.05 -66.09 0.28 Allowed 'General case' 0 N--CA 1.496 1.828 0 O-C-N 121.568 -0.707 . . . . 0.0 109.479 -179.934 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -44.01 -51.74 7.56 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.232 -0.917 . . . . 0.0 109.488 179.625 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 47.7 t -48.64 -30.82 5.85 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.146 -0.971 . . . . 0.0 109.24 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.545 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 1.6 ptm180 -90.57 -28.89 18.17 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.387 -0.821 . . . . 0.0 110.156 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.613 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -90.11 -45.0 9.42 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.061 -1.025 . . . . 0.0 108.633 179.838 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttt180 -44.37 -64.34 0.7 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.195 -0.941 . . . . 0.0 109.268 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 16' ' ' GLN . 12.0 mptt -43.31 -49.94 6.74 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.361 -0.837 . . . . 0.0 109.954 -179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.482 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 24.6 mm100 -42.9 -52.32 5.18 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.268 -0.895 . . . . 0.0 109.604 -179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -41.62 -71.87 0.07 Allowed 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.427 -0.796 . . . . 0.0 109.606 -179.779 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.24 -58.13 2.66 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.313 -0.867 . . . . 0.0 109.56 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.03 -55.13 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.758 -0.589 . . . . 0.0 109.578 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' HD2' ' A' ' 21' ' ' LYN . 26.9 mtmt -80.47 -164.42 0.7 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.096 -1.002 . . . . 0.0 109.516 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.453 ' HD2' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.46 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 24.3 m -171.83 163.04 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.206 -0.934 . . . . 0.0 109.562 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -175.67 73.81 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.187 -0.945 . . . . 0.0 109.718 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.975 ' O ' HG22 ' A' ' 7' ' ' THR . . . 71.0 -111.38 3.68 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 108.435 -1.866 . . . . 0.0 108.435 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -36.99 -30.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.838 0 O-C-N 121.789 -0.83 . . . . 0.0 109.677 179.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -107.66 75.71 1.02 Allowed 'General case' 0 C--N 1.303 -1.451 0 O-C-N 121.198 -0.938 . . . . 0.0 109.854 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.975 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.9 t -176.43 -141.09 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.377 0 O-C-N 121.128 -0.982 . . . . 0.0 109.039 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.533 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t70 -100.1 -60.69 1.48 Allowed 'General case' 0 C--N 1.303 -1.449 0 O-C-N 120.897 -1.127 . . . . 0.0 110.112 -179.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' N ' ' A' ' 13' ' ' TYR . 0.9 OUTLIER -38.73 -64.38 0.44 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.501 -0.749 . . . . 0.0 110.154 -179.453 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -42.4 -48.6 5.17 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.002 -1.061 . . . . 0.0 109.628 -179.854 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.581 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 28.3 t -53.98 -57.6 10.39 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.052 -1.03 . . . . 0.0 108.637 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.539 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.0 ptp180 -64.65 -23.63 67.32 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 107.844 -1.169 . . . . 0.0 107.844 178.324 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.594 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.43 4.82 47.83 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 179.347 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.586 ' HG3' ' CD2' ' A' ' 10' ' ' TYR . 3.2 mmp_? -106.06 -73.25 0.69 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.8 mmtt -43.86 -59.89 2.06 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.4 -0.812 . . . . 0.0 109.04 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.512 ' HG3' ' N ' ' A' ' 17' ' ' MET . 3.6 pt20 -43.72 -37.12 2.52 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.408 -0.808 . . . . 0.0 109.695 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.512 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 4.5 ttm -41.23 -69.37 0.14 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.378 -0.826 . . . . 0.0 110.149 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' LYN . . . -41.69 -55.76 2.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.344 -0.848 . . . . 0.0 109.957 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.45 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.5 t -41.26 -54.62 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.541 -0.724 . . . . 0.0 109.87 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 13.7 mtmt -80.93 9.33 6.62 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.92 -1.112 . . . . 0.0 110.098 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.525 ' N ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.57 ' CE1' ' OD2' ' A' ' 3' ' ' ASP . 21.6 p-80 . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.6 m -175.16 26.4 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.142 -0.974 . . . . 0.0 110.217 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.57 ' OD2' ' CE1' ' A' ' 1' ' ' HIS . 5.5 m-20 -123.69 52.2 1.45 Allowed 'General case' 0 C--N 1.296 -1.721 0 O-C-N 120.887 -1.133 . . . . 0.0 110.271 -179.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.078 ' O ' HG22 ' A' ' 7' ' ' THR . . . 48.54 -98.14 0.02 OUTLIER Glycine 0 N--CA 1.493 2.487 0 N-CA-C 108.001 -2.04 . . . . 0.0 108.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.5 -28.7 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.367 -1.078 . . . . 0.0 109.229 179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.68 76.65 1.03 Allowed 'General case' 0 C--N 1.305 -1.342 0 O-C-N 121.304 -0.872 . . . . 0.0 109.3 179.01 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.078 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.3 t -179.06 -141.75 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.445 0 O-C-N 120.977 -1.077 . . . . 0.0 109.489 179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' A' ' 11' ' ' SER . 21.0 t0 -99.5 -58.75 1.86 Allowed 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.985 -1.072 . . . . 0.0 110.165 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.537 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.99 -64.04 0.43 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.482 -0.761 . . . . 0.0 109.834 -179.662 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.68 -52.8 7.91 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.974 -1.079 . . . . 0.0 109.148 179.688 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 35.1 t -47.57 -50.48 23.83 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.8 ptm180 -75.28 -22.71 57.55 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 178.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.64 -1.87 58.3 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.605 -0.684 . . . . 0.0 109.266 -179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -92.28 -71.81 0.62 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.13 -0.981 . . . . 0.0 109.204 179.824 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 14' ' ' ARG . 1.6 mptp? -42.33 -38.19 1.75 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.311 -0.868 . . . . 0.0 109.829 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mt-30 -42.48 -44.55 4.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.219 -0.926 . . . . 0.0 109.526 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 23.7 mmt -44.42 -75.71 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 109.485 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.6 -57.81 2.96 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 0.0 109.405 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.13 -54.59 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.689 -0.632 . . . . 0.0 109.493 179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' O ' ' HB3' ' A' ' 21' ' ' LYN . 36.2 mtmt -76.89 -164.3 0.42 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.102 -0.998 . . . . 0.0 109.563 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.439 ' HB3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.0 t-160 . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 5.0 m -162.54 162.93 27.54 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.2 -0.937 . . . . 0.0 109.489 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -175.15 73.65 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.153 -0.967 . . . . 0.0 109.761 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.016 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.3 -110.39 3.12 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 108.685 -1.766 . . . . 0.0 108.685 -179.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.41 -28.39 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.815 0 O-C-N 121.707 -0.878 . . . . 0.0 109.81 179.544 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.511 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -109.09 76.43 1.0 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.111 -0.993 . . . . 0.0 109.561 179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.016 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.71 -140.91 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.073 -1.017 . . . . 0.0 109.311 179.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.535 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -100.12 -60.25 1.56 Allowed 'General case' 0 N--CA 1.488 1.43 0 O-C-N 120.948 -1.095 . . . . 0.0 110.089 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.546 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.73 -63.68 0.45 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.59 -0.694 . . . . 0.0 109.915 -179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.44 -52.16 8.06 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.979 -1.075 . . . . 0.0 109.205 179.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.6 t -48.59 -50.77 31.05 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.1 OUTLIER -74.87 -22.57 58.59 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.01 -2.13 58.44 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 -179.633 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 10' ' ' TYR . 4.8 ttt85 -92.59 -71.41 0.65 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.1 179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' ARG . 2.5 mptt -42.18 -38.19 1.66 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.398 -0.814 . . . . 0.0 109.727 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.51 ' NE2' ' O ' ' A' ' 12' ' ' ARG . 62.8 mt-30 -43.02 -48.54 6.03 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.189 -0.944 . . . . 0.0 109.357 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 5.5 mtt -43.95 -73.89 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.322 -0.861 . . . . 0.0 109.6 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.17 -57.28 3.02 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.311 -0.868 . . . . 0.0 109.402 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.473 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.03 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.694 -0.629 . . . . 0.0 109.452 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.1 mtmt -82.78 48.3 1.32 Allowed 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.058 -1.026 . . . . 0.0 109.474 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.438 -0.578 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.5 m -162.26 163.01 28.37 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.198 -0.939 . . . . 0.0 109.532 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -174.95 73.76 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.16 -0.962 . . . . 0.0 109.717 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.1 -110.37 3.12 Favored Glycine 0 N--CA 1.492 2.368 0 N-CA-C 108.629 -1.788 . . . . 0.0 108.629 -179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.28 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 121.681 -0.894 . . . . 0.0 109.84 179.535 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -109.09 76.31 1.0 Allowed 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.083 -1.011 . . . . 0.0 109.622 179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.2 t -177.56 -140.27 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.082 -1.011 . . . . 0.0 109.31 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.541 ' N ' HG23 ' A' ' 7' ' ' THR . 11.2 t70 -100.45 -60.78 1.46 Allowed 'General case' 0 N--CA 1.487 1.414 0 O-C-N 120.933 -1.105 . . . . 0.0 110.155 -179.454 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.71 -63.1 0.49 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.554 -0.716 . . . . 0.0 109.946 -179.538 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.607 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.96 -51.66 9.57 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 120.941 -1.099 . . . . 0.0 109.138 179.768 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 41.9 t -48.71 -51.66 27.56 Favored 'General case' 0 C--N 1.302 -1.458 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.535 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.4 ptp180 -73.95 -21.92 59.84 Favored 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 178.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.607 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.35 0.0 57.45 Favored 'General case' 0 N--CA 1.488 1.445 0 N-CA-C 109.184 -0.673 . . . . 0.0 109.184 -179.73 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 10' ' ' TYR . 3.6 ttp85 -95.85 -70.71 0.7 Allowed 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.168 -0.957 . . . . 0.0 109.629 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -42.7 -47.09 5.3 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.287 -0.883 . . . . 0.0 109.571 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 15' ' ' LYS . 26.4 mm100 -43.16 -47.48 6.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.268 -0.895 . . . . 0.0 109.446 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 2.6 mtt -44.41 -75.08 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.257 -0.902 . . . . 0.0 109.596 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.535 ' HA ' ' CG ' ' A' ' 21' ' ' LYN . . . -42.28 -57.06 2.7 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.355 -0.841 . . . . 0.0 109.457 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.0 -53.26 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 121.743 -0.598 . . . . 0.0 109.636 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 2.7 mtmp? -80.99 48.32 1.09 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.051 -1.031 . . . . 0.0 109.828 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.535 ' CG ' ' HA ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.513 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 3.9 m -166.0 163.49 18.34 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.901 . . . . 0.0 109.525 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -167.25 70.42 0.1 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.208 -0.933 . . . . 0.0 109.917 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.026 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.18 -109.73 2.9 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 108.782 -1.727 . . . . 0.0 108.782 -179.645 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.729 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.74 -28.31 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.626 -0.926 . . . . 0.0 109.788 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.71 76.12 1.05 Allowed 'General case' 0 C--N 1.303 -1.418 0 O-C-N 121.065 -1.022 . . . . 0.0 109.631 179.607 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.026 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -178.63 -143.66 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.036 -1.04 . . . . 0.0 109.466 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' O ' ' C ' ' A' ' 9' ' ' SER . 18.1 t70 -97.8 -58.67 1.93 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.034 -1.041 . . . . 0.0 110.1 -179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.06 -64.14 0.43 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.553 -0.717 . . . . 0.0 109.885 -179.698 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.61 -52.12 8.42 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.944 -1.097 . . . . 0.0 109.124 179.768 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.2 t -48.13 -50.67 27.82 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -75.16 -22.79 57.86 Favored 'General case' 0 N--CA 1.49 1.549 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.98 0.61 56.51 Favored 'General case' 0 N--CA 1.488 1.427 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 -179.714 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.7 ttp-105 -103.22 -73.27 0.67 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.163 -0.961 . . . . 0.0 109.479 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -48.04 -55.21 10.69 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.224 -0.922 . . . . 0.0 109.484 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.518 ' NE2' ' HA ' ' A' ' 13' ' ' TYR . 11.9 pt20 -43.5 -36.19 1.94 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.3 -0.875 . . . . 0.0 109.427 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.486 ' N ' ' HG3' ' A' ' 16' ' ' GLN . 11.3 mtt -44.63 -75.26 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.22 -0.925 . . . . 0.0 109.597 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.91 -58.65 2.31 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.335 -0.853 . . . . 0.0 109.473 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.71 -53.47 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.928 0 O-C-N 121.775 -0.578 . . . . 0.0 109.561 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -80.88 49.49 1.22 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.097 -1.002 . . . . 0.0 109.709 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.448 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 57.0 t60 . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.45 ' HB3' ' O ' ' A' ' 6' ' ' PHE . 19.7 m -153.98 161.51 41.91 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.213 -0.929 . . . . 0.0 109.489 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -175.58 73.81 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.166 -0.959 . . . . 0.0 109.767 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.004 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.08 -110.47 3.16 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.729 -1.748 . . . . 0.0 108.729 -179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.592 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.38 -28.45 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 121.637 -0.92 . . . . 0.0 109.849 179.492 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.513 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.9 OUTLIER -108.97 76.39 1.01 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.037 -1.04 . . . . 0.0 109.593 179.57 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.004 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.53 -141.11 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.384 0 O-C-N 121.09 -1.006 . . . . 0.0 109.284 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 7' ' ' THR . 19.7 t70 -99.92 -59.67 1.67 Allowed 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.994 -1.066 . . . . 0.0 110.085 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.87 -63.8 0.44 Allowed 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.498 -0.751 . . . . 0.0 109.883 -179.621 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.611 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.74 8.95 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 120.968 -1.083 . . . . 0.0 109.185 179.784 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.529 ' N ' ' CD2' ' A' ' 10' ' ' TYR . 43.5 t -48.8 -51.08 31.25 Favored 'General case' 0 C--N 1.302 -1.467 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.0 ptm180 -74.31 -21.89 59.51 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.611 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.5 2.19 55.96 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 109.13 -0.692 . . . . 0.0 109.13 -179.728 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -109.56 -75.02 0.63 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.161 -0.962 . . . . 0.0 109.453 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -43.5 -49.56 7.29 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.267 -0.895 . . . . 0.0 109.385 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 0.0 OUTLIER -44.01 -37.43 2.97 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.271 -0.893 . . . . 0.0 109.403 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.467 ' HA ' ' OE1' ' A' ' 16' ' ' GLN . 8.5 mmt -41.01 -64.34 0.56 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.183 -0.948 . . . . 0.0 110.231 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.473 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -37.83 -54.55 1.25 Allowed 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.483 -0.761 . . . . 0.0 110.447 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.5 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.4 t -38.89 -53.92 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.964 0 O-C-N 121.57 -0.706 . . . . 0.0 109.597 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.459 ' HE2' ' OE1' ' A' ' 16' ' ' GLN . 40.7 mtmt -70.22 -162.0 0.05 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.068 -1.02 . . . . 0.0 109.509 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.461 ' O ' ' O ' ' A' ' 2' ' ' SER . 77.7 t60 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.328 0.585 . . . . 0.0 109.466 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.487 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.7 m 58.6 154.02 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.279 -0.888 . . . . 0.0 109.472 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.456 ' HB2' ' O ' ' A' ' 2' ' ' SER . 9.5 t70 178.29 76.06 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.68 0 O-C-N 120.973 -1.079 . . . . 0.0 109.732 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.995 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.6 -110.78 3.51 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 108.506 -1.838 . . . . 0.0 108.506 -179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.594 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.14 -28.21 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.824 0 O-C-N 121.671 -0.9 . . . . 0.0 109.802 179.436 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.514 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.5 m-85 -108.23 76.64 1.05 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.041 -1.037 . . . . 0.0 109.573 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.995 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.7 t -179.37 -143.32 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.434 0 O-C-N 121.047 -1.033 . . . . 0.0 109.491 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.51 ' N ' HG23 ' A' ' 7' ' ' THR . 8.1 t0 -97.98 -59.46 1.76 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.021 -1.049 . . . . 0.0 110.046 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.54 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -37.29 -63.48 0.44 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.573 -0.704 . . . . 0.0 109.893 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.23 -52.13 13.06 Favored 'General case' 0 N--CA 1.487 1.395 0 O-C-N 121.023 -1.048 . . . . 0.0 109.446 179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 45.7 t -50.0 -40.85 45.76 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.892 -1.13 . . . . 0.0 109.0 -179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.54 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.0 ptp180 -85.03 -24.86 27.99 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.335 -0.853 . . . . 0.0 109.586 179.356 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.629 ' CD1' ' N ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -83.69 -34.25 24.99 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.313 -0.867 . . . . 0.0 108.897 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.629 ' N ' ' CD1' ' A' ' 13' ' ' TYR . 6.3 ttt-85 -51.84 -72.4 0.05 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.484 -0.76 . . . . 0.0 109.093 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -46.01 -51.0 14.32 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.243 -0.911 . . . . 0.0 109.36 179.775 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 15' ' ' LYS . 19.5 mt-30 -43.37 -36.26 1.84 Allowed 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.32 -0.863 . . . . 0.0 109.345 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 15.2 mmt -42.54 -72.49 0.06 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.378 -0.826 . . . . 0.0 109.739 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.96 -58.74 2.28 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.332 -0.855 . . . . 0.0 109.527 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.459 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -39.13 -54.93 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 O-C-N 121.739 -0.601 . . . . 0.0 109.505 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.0 mtmt -84.12 -152.59 0.13 Allowed 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.01 -1.056 . . . . 0.0 109.46 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.413 ' HA ' ' HD2' ' A' ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.524 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 0.0 OUTLIER -172.05 158.27 4.61 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.228 -0.92 . . . . 0.0 109.584 179.847 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -160.41 68.25 0.36 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.141 -0.974 . . . . 0.0 109.552 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.035 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.04 -111.19 3.41 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 108.55 -1.82 . . . . 0.0 108.55 -179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.733 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -40.89 -27.66 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.405 -1.056 . . . . 0.0 109.655 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.524 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.2 OUTLIER -107.25 77.25 1.13 Allowed 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.148 -0.97 . . . . 0.0 109.409 179.507 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.035 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.0 t -177.52 -144.74 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.127 -0.983 . . . . 0.0 109.21 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.486 ' N ' HG23 ' A' ' 7' ' ' THR . 26.5 t0 -96.51 -57.31 2.34 Favored 'General case' 0 C--N 1.303 -1.436 0 O-C-N 121.037 -1.04 . . . . 0.0 109.544 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -37.6 -62.21 0.55 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.643 -0.661 . . . . 0.0 109.734 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.654 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -47.99 -50.61 26.94 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 121.025 -1.047 . . . . 0.0 109.564 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.534 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 36.2 t -48.8 -40.71 30.13 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 120.833 -1.167 . . . . 0.0 108.805 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 2.1 ptp180 -83.88 -25.75 29.98 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.316 -0.865 . . . . 0.0 110.051 179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.586 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -87.96 -28.27 21.57 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.294 -0.879 . . . . 0.0 109.096 -179.445 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 10' ' ' TYR . 12.4 ttt85 -70.24 -63.34 1.1 Allowed 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.271 -0.893 . . . . 0.0 109.56 179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.526 ' CD ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -42.14 -46.91 4.49 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.316 -0.865 . . . . 0.0 109.856 -179.617 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 83.4 mm-40 -43.49 -38.43 2.87 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.289 -0.882 . . . . 0.0 109.341 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.448 ' O ' ' C ' ' A' ' 18' ' ' ALA . 19.2 mmt -43.7 -72.96 0.05 Allowed 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.276 -0.89 . . . . 0.0 109.751 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.472 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.6 -57.83 2.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.43 -0.794 . . . . 0.0 109.791 -179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.472 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.05 -54.5 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 121.695 -0.628 . . . . 0.0 109.533 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.9 mtmt -77.46 -158.08 0.11 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.101 -0.999 . . . . 0.0 109.445 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 2' ' ' SER . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' A' ' 1' ' ' HIS . 21.5 m -174.93 30.12 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.18 -0.95 . . . . 0.0 109.549 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -124.14 51.01 1.6 Allowed 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.007 -1.058 . . . . 0.0 110.67 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.08 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.04 -104.77 1.86 Allowed Glycine 0 N--CA 1.495 2.581 0 N-CA-C 109.565 -1.414 . . . . 0.0 109.565 179.439 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.745 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -36.88 -30.82 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 O-C-N 121.602 -0.94 . . . . 0.0 109.482 -179.909 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.517 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.1 OUTLIER -108.67 75.34 0.96 Allowed 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.227 -0.92 . . . . 0.0 109.016 178.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.08 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.2 t -175.82 -142.11 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.106 -0.996 . . . . 0.0 109.305 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.544 ' N ' HG23 ' A' ' 7' ' ' THR . 17.1 t70 -99.25 -59.7 1.67 Allowed 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.942 -1.099 . . . . 0.0 110.034 -179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.531 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.07 0.52 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.544 -0.723 . . . . 0.0 110.014 -179.584 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.79 -51.63 9.25 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.903 -1.123 . . . . 0.0 109.17 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.54 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 42.4 t -48.14 -52.3 21.18 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HG2' ' HA ' ' A' ' 9' ' ' SER . 10.7 ptm180 -73.75 -22.08 59.99 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -90.11 -0.24 57.5 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.62 -0.675 . . . . 0.0 109.185 -179.612 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.9 ttt180 -99.2 -72.22 0.67 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.203 -0.936 . . . . 0.0 109.548 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.6 OUTLIER -44.47 -50.43 9.4 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.183 -0.948 . . . . 0.0 109.437 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 68.4 mm-40 -44.91 -34.65 2.47 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.31 -0.869 . . . . 0.0 109.437 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.442 ' O ' ' C ' ' A' ' 18' ' ' ALA . 3.9 mmt -45.59 -75.73 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.226 -0.921 . . . . 0.0 109.717 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.22 -57.68 2.86 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.318 -0.864 . . . . 0.0 109.384 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -39.34 -53.77 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.726 -0.609 . . . . 0.0 109.496 179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HE3' ' O ' ' A' ' 16' ' ' GLN . 1.8 mtmp? -81.46 49.01 1.23 Allowed 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.086 -1.009 . . . . 0.0 109.536 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.41 ' H ' ' HD2' ' A' ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 2' ' ' SER . 16.8 t-160 . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' A' ' 6' ' ' PHE . 49.7 m 60.64 67.18 0.85 Allowed 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.273 -0.892 . . . . 0.0 109.608 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -143.62 61.01 1.38 Allowed 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.136 -0.977 . . . . 0.0 109.758 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.075 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.07 -104.43 1.56 Allowed Glycine 0 N--CA 1.49 2.265 0 N-CA-C 108.694 -1.762 . . . . 0.0 108.694 -179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.735 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -38.16 -29.9 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.577 -0.955 . . . . 0.0 109.63 179.713 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.509 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -109.37 76.3 0.99 Allowed 'General case' 0 C--N 1.303 -1.438 0 O-C-N 121.221 -0.925 . . . . 0.0 109.271 179.237 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.075 HG22 ' O ' ' A' ' 4' ' ' GLY . 8.8 t -177.63 -140.17 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.137 -0.977 . . . . 0.0 109.425 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.77 -60.1 1.58 Allowed 'General case' 0 N--CA 1.487 1.419 0 O-C-N 120.956 -1.09 . . . . 0.0 110.135 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.54 -63.21 0.47 Allowed 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.568 -0.707 . . . . 0.0 109.964 -179.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.615 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -52.64 8.1 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 120.986 -1.071 . . . . 0.0 109.099 179.691 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.558 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 39.9 t -47.37 -51.13 20.56 Favored 'General case' 0 C--N 1.302 -1.478 0 N-CA-C 108.767 -0.827 . . . . 0.0 108.767 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.541 ' HG2' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -74.89 -22.29 58.73 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.31 -0.869 . . . . 0.0 108.68 178.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.615 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.86 -0.37 57.52 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.644 -0.66 . . . . 0.0 109.221 -179.708 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 2.5 ttt180 -95.37 -70.66 0.7 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.177 -0.952 . . . . 0.0 109.558 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.423 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.17 -44.39 3.7 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 109.733 -179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 63.2 mm-40 -43.11 -46.47 5.8 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.294 -0.879 . . . . 0.0 109.473 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.437 ' O ' ' C ' ' A' ' 18' ' ' ALA . 57.1 mtt -44.14 -75.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.228 -0.92 . . . . 0.0 109.571 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.471 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.11 -57.6 2.85 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.332 -0.855 . . . . 0.0 109.428 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.471 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.2 t -38.73 -53.5 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.817 -0.552 . . . . 0.0 109.531 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -78.58 51.14 1.03 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.047 -1.033 . . . . 0.0 109.644 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.441 ' HB3' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.551 ' HB3' ' CB ' ' A' ' 6' ' ' PHE . 9.6 t-160 . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.447 ' HB2' ' O ' ' A' ' 1' ' ' HIS . 50.4 m 62.03 40.25 12.36 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.212 -0.93 . . . . 0.0 109.68 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -132.6 56.62 1.83 Allowed 'General case' 0 C--N 1.297 -1.714 0 O-C-N 121.094 -1.004 . . . . 0.0 109.952 -178.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.058 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.22 -106.49 2.16 Favored Glycine 0 N--CA 1.494 2.548 0 N-CA-C 109.038 -1.625 . . . . 0.0 109.038 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.586 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.97 -31.15 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.637 -0.919 . . . . 0.0 109.379 179.65 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.551 ' CB ' ' HB3' ' A' ' 1' ' ' HIS . 1.0 OUTLIER -109.42 75.14 0.93 Allowed 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.292 -0.88 . . . . 0.0 109.08 179.088 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.058 HG22 ' O ' ' A' ' 4' ' ' GLY . 11.9 t -174.0 -141.17 0.02 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 O-C-N 121.198 -0.939 . . . . 0.0 109.006 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.577 ' N ' HG23 ' A' ' 7' ' ' THR . 16.3 t70 -100.17 -59.59 1.68 Allowed 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.909 -1.119 . . . . 0.0 109.989 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.47 -63.03 0.53 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.537 -0.727 . . . . 0.0 110.024 -179.596 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.597 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.46 -51.04 9.08 Favored 'General case' 0 N--CA 1.488 1.434 0 O-C-N 120.891 -1.131 . . . . 0.0 109.145 179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 42.5 t -48.71 -54.31 15.36 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.542 ' HG2' ' O ' ' A' ' 9' ' ' SER . 8.1 ptm180 -70.92 -21.82 62.32 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.597 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -91.63 4.35 52.88 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -116.6 -76.51 0.57 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.188 -0.945 . . . . 0.0 109.47 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.518 ' CG ' ' O ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -41.64 -44.9 3.25 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.353 -0.842 . . . . 0.0 109.705 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 69.5 mm-40 -51.09 -59.27 4.36 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.215 -0.928 . . . . 0.0 109.198 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.446 ' O ' ' C ' ' A' ' 18' ' ' ALA . 22.7 mtt -42.34 -70.92 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.357 -0.839 . . . . 0.0 109.764 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -41.87 -56.44 2.73 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.366 -0.834 . . . . 0.0 109.492 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.476 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.1 t -39.44 -54.84 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.832 0 O-C-N 121.704 -0.623 . . . . 0.0 109.409 179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.454 ' O ' ' HD3' ' A' ' 21' ' ' LYN . 13.3 mtmt -89.85 -169.04 2.31 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.057 -1.027 . . . . 0.0 109.389 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.454 ' HD3' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.569 ' CG ' ' N ' ' A' ' 2' ' ' SER . 0.3 OUTLIER . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.569 ' N ' ' CG ' ' A' ' 1' ' ' HIS . 6.3 m -178.23 31.4 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.162 -0.961 . . . . 0.0 109.566 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -126.13 53.33 1.62 Allowed 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.051 -1.031 . . . . 0.0 110.36 -178.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.088 ' O ' HG22 ' A' ' 7' ' ' THR . . . 76.76 -106.16 2.14 Favored Glycine 0 N--CA 1.496 2.676 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 179.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.59 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.4 OUTLIER -36.77 -31.07 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.959 0 O-C-N 121.698 -0.884 . . . . 0.0 109.342 179.827 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.516 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.6 OUTLIER -109.16 75.02 0.93 Allowed 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.265 -0.897 . . . . 0.0 109.005 178.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.088 HG22 ' O ' ' A' ' 4' ' ' GLY . 12.2 t -174.05 -141.5 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.168 -0.957 . . . . 0.0 109.03 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.568 ' N ' HG23 ' A' ' 7' ' ' THR . 14.9 t70 -99.86 -59.55 1.69 Allowed 'General case' 0 C--N 1.305 -1.361 0 O-C-N 120.917 -1.114 . . . . 0.0 109.917 -179.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.543 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -38.22 -63.12 0.51 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.534 -0.729 . . . . 0.0 109.994 -179.663 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.593 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.7 -51.12 9.55 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.904 -1.123 . . . . 0.0 109.331 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.537 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 40.6 t -49.44 -50.76 39.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.239 -0.913 . . . . 0.0 108.78 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.543 ' HG2' ' O ' ' A' ' 9' ' ' SER . 10.2 ptm180 -74.75 -22.36 58.84 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.326 -0.858 . . . . 0.0 108.92 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.593 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -88.89 -6.45 57.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.563 -0.711 . . . . 0.0 109.286 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.533 ' N ' ' O ' ' A' ' 10' ' ' TYR . 6.1 ttt180 -96.11 -68.24 0.81 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.218 -0.926 . . . . 0.0 109.737 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 11' ' ' SER . 1.2 mmtt -40.44 -51.56 2.84 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.447 -0.783 . . . . 0.0 109.605 -179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 16' ' ' GLN . 14.9 mm100 -44.83 -35.95 3.02 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.255 -0.903 . . . . 0.0 109.35 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 14' ' ' ARG . 0.7 OUTLIER -42.83 -72.97 0.05 Allowed 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.29 -0.881 . . . . 0.0 109.819 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.456 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.32 -58.75 2.07 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.367 -0.833 . . . . 0.0 109.638 -179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.456 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.83 -54.42 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.793 -0.567 . . . . 0.0 109.535 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 16' ' ' GLN . 2.2 ptpt -81.42 49.37 1.28 Allowed 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.092 -1.005 . . . . 0.0 109.572 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.44 ' HG2' ' O ' ' A' ' 17' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.463 ' O ' ' O ' ' A' ' 2' ' ' SER . 73.5 t60 . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.449 -0.574 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.48 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 58.9 m 57.17 159.52 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.302 -0.874 . . . . 0.0 109.534 -179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -176.9 74.15 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.132 -0.98 . . . . 0.0 109.737 -179.886 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.021 ' O ' HG22 ' A' ' 7' ' ' THR . . . 69.16 -111.44 3.92 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 108.383 -1.887 . . . . 0.0 108.383 -179.339 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.743 ' C ' HD13 ' A' ' 5' ' ' ILE . 0.0 OUTLIER -39.37 -27.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.617 -0.931 . . . . 0.0 109.679 179.245 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -107.65 77.14 1.11 Allowed 'General case' 0 C--N 1.305 -1.347 0 O-C-N 121.059 -1.026 . . . . 0.0 109.524 179.563 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.021 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.1 t -178.96 -144.58 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.025 -1.047 . . . . 0.0 109.398 179.863 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.507 ' N ' HG23 ' A' ' 7' ' ' THR . 20.2 t70 -97.32 -56.95 2.38 Favored 'General case' 0 C--N 1.304 -1.385 0 O-C-N 121.064 -1.023 . . . . 0.0 109.858 -179.661 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.535 ' O ' ' CG ' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -38.2 -65.56 0.33 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.61 -0.681 . . . . 0.0 109.567 -179.93 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.616 ' HB2' ' HA ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -43.57 -52.84 6.02 Favored 'General case' 0 N--CA 1.486 1.366 0 O-C-N 121.202 -0.936 . . . . 0.0 109.482 179.803 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.56 ' N ' ' CG ' ' A' ' 10' ' ' TYR . 46.0 t -47.16 -32.56 4.42 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 121.162 -0.961 . . . . 0.0 109.164 -179.744 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.558 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.47 -28.32 18.66 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.697 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -88.85 -44.63 10.35 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.195 -0.94 . . . . 0.0 108.805 179.99 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' TYR . 10.3 ttt85 -42.43 -62.93 0.85 Allowed 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.352 -0.843 . . . . 0.0 109.601 179.77 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.522 ' CD ' ' O ' ' A' ' 11' ' ' SER . 6.2 mptt -45.87 -50.77 14.0 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.249 -0.907 . . . . 0.0 109.885 -179.713 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.1 mm100 -42.66 -38.56 2.08 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.299 -0.876 . . . . 0.0 109.554 -179.726 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.461 ' O ' ' HG3' ' A' ' 21' ' ' LYN . 29.7 mmt -46.97 -76.51 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.242 -0.911 . . . . 0.0 109.588 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.52 ' O ' ' CG ' ' A' ' 21' ' ' LYN . . . -42.28 -56.92 2.75 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.465 -0.772 . . . . 0.0 109.506 -179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.3 t -39.2 -52.89 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.697 -0.627 . . . . 0.0 109.541 179.796 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' LYN . 2.0 mtmp? -79.71 49.48 1.04 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.077 -1.014 . . . . 0.0 109.834 -179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.52 ' CG ' ' O ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.573 ' CG ' ' O ' ' A' ' 1' ' ' HIS . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.451 ' HB2' ' O ' ' A' ' 1' ' ' HIS . 71.1 m 60.2 48.67 8.0 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.154 -0.966 . . . . 0.0 109.599 -179.945 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -136.01 58.55 1.74 Allowed 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.073 -1.017 . . . . 0.0 109.702 -179.074 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.081 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.72 -107.15 2.26 Favored Glycine 0 N--CA 1.493 2.436 0 N-CA-C 108.698 -1.761 . . . . 0.0 108.698 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.587 ' HA ' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -35.7 -32.94 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.972 0 O-C-N 121.791 -0.829 . . . . 0.0 109.369 179.469 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.0 OUTLIER -107.74 75.07 0.99 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.265 -0.897 . . . . 0.0 109.181 179.228 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.081 HG22 ' O ' ' A' ' 4' ' ' GLY . 13.4 t -175.68 -143.43 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.239 -0.913 . . . . 0.0 109.118 -179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.573 ' N ' HG23 ' A' ' 7' ' ' THR . 14.3 t70 -97.81 -58.78 1.91 Allowed 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.002 -1.061 . . . . 0.0 109.756 -179.801 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.522 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -36.49 -62.56 0.45 Allowed 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.658 -0.651 . . . . 0.0 109.885 -179.884 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.621 ' CD1' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -48.79 -46.43 41.54 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.322 -0.861 . . . . 0.0 109.981 -179.994 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.621 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 39.9 t -54.73 -31.3 58.12 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.839 -1.163 . . . . 0.0 108.889 -179.689 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -90.25 -28.72 18.63 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.426 -0.796 . . . . 0.0 109.852 179.589 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.603 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -92.31 -56.25 3.12 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.564 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -39.8 -59.56 1.15 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.703 -0.623 . . . . 0.0 109.515 179.199 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 11' ' ' SER . 11.0 mmmt -47.03 -52.19 15.53 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.358 -0.839 . . . . 0.0 109.525 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' TYR . 27.0 mm100 -43.28 -39.13 2.89 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.251 -0.905 . . . . 0.0 109.455 -179.852 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' O ' ' C ' ' A' ' 18' ' ' ALA . 4.3 mmt -43.78 -73.17 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.292 -0.88 . . . . 0.0 109.823 -179.907 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -42.34 -57.99 2.37 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.319 -0.863 . . . . 0.0 109.553 -179.805 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -39.06 -54.37 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.741 -0.6 . . . . 0.0 109.488 179.847 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.516 ' O ' ' CD ' ' A' ' 21' ' ' LYN . 18.9 mtmt -85.93 -168.45 2.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.031 -1.043 . . . . 0.0 109.565 -179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.516 ' CD ' ' O ' ' A' ' 20' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.465 ' O ' ' O ' ' A' ' 2' ' ' SER . 22.5 t-160 . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.486 ' HA ' ' HB3' ' A' ' 6' ' ' PHE . 1.8 m 58.68 154.04 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.367 -0.833 . . . . 0.0 109.488 -179.977 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.459 ' HB2' ' O ' ' A' ' 2' ' ' SER . 6.7 t70 178.31 75.91 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.033 -1.042 . . . . 0.0 109.75 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.988 ' O ' HG22 ' A' ' 7' ' ' THR . . . 70.04 -110.98 3.56 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 108.554 -1.818 . . . . 0.0 108.554 -179.413 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.588 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.74 -28.08 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.613 -0.934 . . . . 0.0 109.75 179.302 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 4' ' ' GLY . 1.7 m-85 -108.71 76.2 1.01 Allowed 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.073 -1.017 . . . . 0.0 109.515 179.564 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.988 HG22 ' O ' ' A' ' 4' ' ' GLY . 10.0 t -177.14 -141.31 0.02 OUTLIER 'General case' 0 N--CA 1.488 1.428 0 O-C-N 121.081 -1.012 . . . . 0.0 109.307 179.739 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.537 ' N ' HG23 ' A' ' 7' ' ' THR . 37.8 t70 -99.56 -59.93 1.63 Allowed 'General case' 0 N--CA 1.486 1.369 0 O-C-N 120.935 -1.103 . . . . 0.0 110.137 -179.447 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.92 -63.74 0.45 Allowed 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.537 -0.727 . . . . 0.0 109.891 -179.671 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.82 -51.27 9.68 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.973 -1.079 . . . . 0.0 109.133 179.789 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.544 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 43.9 t -48.93 -51.0 32.63 Favored 'General case' 0 C--N 1.303 -1.444 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 179.992 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.53 ' HG2' ' O ' ' A' ' 9' ' ' SER . 3.3 ptp180 -74.4 -22.39 59.2 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 178.869 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.79 -0.43 57.54 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -179.694 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.515 ' N ' ' O ' ' A' ' 10' ' ' TYR . 1.6 ttp180 -94.1 -68.76 0.78 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.265 -0.897 . . . . 0.0 109.618 -179.909 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.3 OUTLIER -42.09 -48.28 4.68 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.884 . . . . 0.0 109.608 -179.95 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.443 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 25.4 mm100 -44.35 -37.27 3.24 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -0.889 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.439 ' HG3' ' O ' ' A' ' 14' ' ' ARG . 2.8 mtt -41.78 -70.66 0.1 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.439 -0.788 . . . . 0.0 110.067 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.531 ' HA ' ' CG ' ' A' ' 21' ' ' LYN . . . -40.85 -54.72 2.63 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.348 -0.845 . . . . 0.0 109.992 -179.602 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 ' HB ' ' O ' ' A' ' 16' ' ' GLN . 3.2 t -42.07 -55.05 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.396 -0.815 . . . . 0.0 109.786 -179.884 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -67.75 -6.43 21.0 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.989 -1.07 . . . . 0.0 110.146 -179.441 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . 0.531 ' CG ' ' HA ' ' A' ' 18' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . 0.445 ' O ' ' HB2' ' A' ' 2' ' ' SER . 18.5 t-160 . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.526 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 10.0 m 60.3 166.53 0.07 Allowed 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.89 . . . . 0.0 109.504 -179.977 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -177.36 74.36 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.142 -0.974 . . . . 0.0 110.147 -179.824 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.902 ' O ' HG22 ' A' ' 7' ' ' THR . . . 75.5 -110.01 2.94 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.0 -1.64 . . . . 0.0 109.0 -179.829 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.842 HD13 ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -56.01 -11.83 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.038 -1.272 . . . . 0.0 110.672 -179.971 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.526 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.1 OUTLIER -108.27 78.87 1.2 Allowed 'General case' 0 N--CA 1.489 1.485 0 O-C-N 120.283 -1.51 . . . . 0.0 108.934 179.498 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.902 HG22 ' O ' ' A' ' 4' ' ' GLY . 3.6 t -179.04 -144.62 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.027 -1.046 . . . . 0.0 109.589 -179.358 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.532 ' N ' ' OG1' ' A' ' 7' ' ' THR . 6.7 t0 -91.01 -51.6 5.25 Favored 'General case' 0 N--CA 1.487 1.388 0 O-C-N 121.194 -0.941 . . . . 0.0 109.444 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.51 ' HA ' ' HG2' ' A' ' 12' ' ' ARG . 0.0 OUTLIER -39.65 -66.82 0.26 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.428 -0.795 . . . . 0.0 109.423 179.778 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.617 ' CG ' ' O ' ' A' ' 5' ' ' ILE . 0.0 OUTLIER -46.97 -44.67 20.3 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.319 -0.863 . . . . 0.0 109.741 179.805 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.572 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 26.7 t -55.51 -33.45 63.75 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.87 -1.143 . . . . 0.0 108.934 -179.875 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HG3' ' N ' ' A' ' 13' ' ' TYR . 4.8 ptm180 -88.51 -28.33 20.86 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.589 -0.694 . . . . 0.0 109.904 179.726 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.574 ' CD1' ' C ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -93.62 -57.46 2.57 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 179.663 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.591 ' N ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -39.09 -59.38 1.01 Allowed 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.377 0.608 . . . . 0.0 109.426 179.013 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.473 ' HG2' ' O ' ' A' ' 11' ' ' SER . 5.3 mmmt -46.46 -52.46 13.12 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.342 -0.849 . . . . 0.0 109.294 179.913 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.476 ' HG2' ' O ' ' A' ' 12' ' ' ARG . 60.6 mm-40 -44.13 -35.74 2.31 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.277 -0.889 . . . . 0.0 109.264 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 16' ' ' GLN . 5.2 mmt -44.73 -75.85 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.238 -0.914 . . . . 0.0 109.539 -179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -43.69 -58.62 2.59 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.337 -0.852 . . . . 0.0 109.381 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.1 t -38.92 -53.9 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.699 -0.626 . . . . 0.0 109.51 179.871 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 mtmt -80.25 50.05 1.2 Allowed 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.063 -1.023 . . . . 0.0 109.585 179.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 . . . . . 0 N--CA 1.49 1.534 0 CA-C-O 121.277 0.561 . . . . 0.0 109.505 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.515 ' CB ' ' O ' ' A' ' 6' ' ' PHE . 4.3 m -162.74 162.99 27.0 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.203 -0.936 . . . . 0.0 109.527 179.902 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -174.81 73.58 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.188 -0.945 . . . . 0.0 109.733 -179.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 1.017 ' O ' HG22 ' A' ' 7' ' ' THR . . . 73.16 -110.47 3.15 Favored Glycine 0 N--CA 1.493 2.44 0 N-CA-C 108.602 -1.799 . . . . 0.0 108.602 -179.439 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.593 ' O ' ' CD1' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -38.42 -28.46 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 121.654 -0.909 . . . . 0.0 109.793 179.547 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.515 ' O ' ' CB ' ' A' ' 2' ' ' SER . 0.9 OUTLIER -109.06 76.12 0.99 Allowed 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.09 -1.006 . . . . 0.0 109.583 179.507 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 1.017 HG22 ' O ' ' A' ' 4' ' ' GLY . 9.6 t -177.09 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.084 -1.01 . . . . 0.0 109.37 179.704 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.549 ' N ' HG23 ' A' ' 7' ' ' THR . 8.5 t0 -100.35 -61.26 1.39 Allowed 'General case' 0 N--CA 1.487 1.378 0 O-C-N 120.873 -1.142 . . . . 0.0 110.164 -179.408 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.547 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -37.45 -63.33 0.45 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.591 -0.693 . . . . 0.0 109.959 -179.548 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.604 ' HA ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -44.88 -51.24 9.82 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 120.999 -1.063 . . . . 0.0 109.084 179.798 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.547 ' N ' ' CD1' ' A' ' 10' ' ' TYR . 41.4 t -48.97 -51.84 28.22 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.744 -0.836 . . . . 0.0 108.744 179.896 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.547 ' HG2' ' O ' ' A' ' 9' ' ' SER . 9.8 ptm180 -73.65 -22.32 60.01 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 178.89 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.604 ' CD1' ' HA ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -89.78 -0.94 57.86 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 -179.735 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.518 ' N ' ' O ' ' A' ' 10' ' ' TYR . 7.7 ttt-85 -93.15 -68.17 0.82 Allowed 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.158 -0.964 . . . . 0.0 109.617 -179.904 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -41.83 -45.92 3.78 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.347 -0.846 . . . . 0.0 109.706 -179.91 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.463 ' O ' ' HB ' ' A' ' 19' ' ' VAL . 23.8 mm100 -44.48 -39.68 4.99 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.234 -0.916 . . . . 0.0 109.241 179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' MET . . . . . 0.454 ' O ' ' C ' ' A' ' 18' ' ' ALA . 2.2 mmt -41.6 -69.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.445 -0.784 . . . . 0.0 109.986 -179.86 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.466 ' O ' ' C ' ' A' ' 19' ' ' VAL . . . -40.56 -57.72 1.77 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.407 -0.808 . . . . 0.0 109.833 -179.743 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.466 ' C ' ' O ' ' A' ' 18' ' ' ALA . 3.0 t -38.94 -54.91 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.803 0 O-C-N 121.723 -0.611 . . . . 0.0 109.588 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -83.65 -163.32 0.74 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.066 -1.021 . . . . 0.0 109.534 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LYN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_