data_1d9j_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 1d9j _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 ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 50.6 mttt -70.76 -6.16 35.53 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.817 -0.813 . . . . 0.0 109.135 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.38 -49.14 36.22 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.077 0.941 . . . . 0.0 109.677 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.61 -13.74 24.59 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.321 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.78 -30.14 68.67 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.373 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 t -78.07 -25.99 47.96 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.802 0.81 . . . . 0.0 109.618 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.24 -16.19 3.06 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.343 0.592 . . . . 0.0 110.264 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -75.62 -31.71 60.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 109.474 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 9.3 m-85 . . . . . 0 C--N 1.301 -1.506 0 O-C-N 121.496 -0.752 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 108.446 -1.861 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -68.67 -18.24 64.24 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.691 0.757 . . . . 0.0 109.265 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -46.66 75.84 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.754 0.788 . . . . 0.0 109.998 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.2 tp -77.65 -11.88 59.91 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.103 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -19.84 24.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 109.037 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -74.11 -30.25 62.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.869 0.843 . . . . 0.0 109.292 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -55.57 -25.4 37.88 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.455 0.645 . . . . 0.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.723 0.773 . . . . 0.0 109.436 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.08 -17.77 61.97 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.791 0.805 . . . . 0.0 109.626 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 C--N 1.296 -1.737 0 O-C-N 121.811 -0.555 . . . . 0.0 110.072 -179.719 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 1.5 pttm -67.16 -10.57 51.71 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.759 -0.848 . . . . 0.0 109.671 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -73.27 -55.19 6.76 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.028 0.918 . . . . 0.0 109.622 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.78 -8.69 57.47 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.356 0.598 . . . . 0.0 110.026 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -63.33 -12.75 32.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.358 -0.839 . . . . 0.0 109.791 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 t -76.82 -29.13 55.81 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.805 0.812 . . . . 0.0 109.391 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -13.7 13.42 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.329 0.585 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 11.1 ttpp -70.88 -16.3 62.68 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.284 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -78.89 -8.17 58.61 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.521 0.677 . . . . 0.0 109.183 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 24.1 m-85 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.588 -0.695 . . . . 0.0 109.906 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.027 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -69.79 -12.61 61.76 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.889 0.852 . . . . 0.0 109.925 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -56.63 -47.99 78.48 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.566 1.174 . . . . 0.0 109.304 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 17' ' ' ALA . 16.2 tp -63.02 -28.97 70.46 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.29 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -46.95 -44.11 19.69 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.736 0.779 . . . . 0.0 109.985 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -73.98 -27.71 61.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.639 0.733 . . . . 0.0 110.144 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 14' ' ' LEU . . . -68.73 -19.55 64.35 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.93 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -80.92 -17.34 50.88 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.122 -0.986 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -86.77 -2.36 58.49 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.615 -0.678 . . . . 0.0 110.055 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 18.0 m-85 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -71.02 -9.86 58.76 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.74 -49.78 56.03 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.908 0.861 . . . . 0.0 109.704 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 tp -74.56 -28.8 61.1 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.53 0.681 . . . . 0.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.68 -22.86 37.9 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -79.19 -26.95 42.58 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.773 0.797 . . . . 0.0 109.253 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -15.7 17.01 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.503 0.668 . . . . 0.0 109.536 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.25 57.27 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -11.53 53.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 8.7 m-85 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.49 -0.756 . . . . 0.0 109.97 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -72.41 -3.64 25.34 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.913 -0.757 . . . . 0.0 109.324 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -73.38 -49.66 26.04 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.224 1.011 . . . . 0.0 109.539 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -50.18 -21.1 1.2 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.376 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-70 -59.88 -28.18 67.33 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 108.858 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -72.41 -37.36 68.68 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.874 0.845 . . . . 0.0 109.045 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.607 0.718 . . . . 0.0 109.367 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -13.26 59.45 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.401 -0.812 . . . . 0.0 108.842 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -84.74 -12.53 53.56 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.609 0.719 . . . . 0.0 109.293 179.073 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 21.6 m-85 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.508 -0.745 . . . . 0.0 110.092 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -72.99 -18.84 61.32 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.745 -0.856 . . . . 0.0 109.57 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.27 -55.01 6.99 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.881 0.848 . . . . 0.0 109.707 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -74.05 -12.84 60.74 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -19.17 64.1 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.49 -0.756 . . . . 0.0 109.844 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -77.78 -29.21 50.74 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.783 0.802 . . . . 0.0 109.454 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -71.27 -13.88 62.04 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.464 0.65 . . . . 0.0 109.882 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.69 -14.79 59.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' PHE . 4.3 ttpp -85.68 -6.33 59.15 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.535 0.683 . . . . 0.0 109.945 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.579 0 O-C-N 121.49 -0.756 . . . . 0.0 111.968 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -4.81 28.62 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.905 -0.761 . . . . 0.0 109.305 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -52.01 7.73 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.721 0.772 . . . . 0.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.7 mm? -74.52 -22.85 58.83 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.005 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -59.98 -15.56 23.26 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.489 -0.757 . . . . 0.0 109.418 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 7.8 t -75.77 -28.52 58.45 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.883 0.849 . . . . 0.0 109.482 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.03 -19.31 2.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.528 -0.733 . . . . 0.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -15.96 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.455 -0.778 . . . . 0.0 109.913 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -85.2 -3.19 58.73 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.593 -0.692 . . . . 0.0 109.666 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.513 -0.742 . . . . 0.0 110.158 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 44.2 pttt -67.92 -28.43 67.49 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.727 -0.866 . . . . 0.0 109.961 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -49.98 71.69 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 122.076 0.941 . . . . 0.0 109.901 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.49 -12.54 61.44 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.676 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.63 -19.61 50.37 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.885 . . . . 0.0 108.966 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -75.07 -28.77 60.48 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.072 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' CD2' ' A' ' 20' ' ' PHE . . . -72.62 -22.51 60.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.553 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 2.2 mtpp -68.02 -28.12 67.13 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.096 0.95 . . . . 0.0 109.123 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 20' ' ' PHE . 2.2 mttt -87.3 16.38 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 121.085 0.469 . . . . 0.0 111.844 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.105 0 N-CA-C 108.491 -1.844 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -80.41 -6.66 58.41 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.798 -0.825 . . . . 0.0 109.577 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -32.33 73.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.1 tp -79.12 -12.82 60.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.603 0.716 . . . . 0.0 109.567 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -30.72 71.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -77.9 -30.5 50.73 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.998 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -51.02 -21.5 1.83 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 109.523 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -20.63 63.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.651 0.739 . . . . 0.0 109.5 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -86.05 -19.18 30.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.642 -0.661 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 26.0 m-85 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.303 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -82.24 -2.3 52.04 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.775 -0.838 . . . . 0.0 110.103 179.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -31.35 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 109.826 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -4.25 45.09 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.619 -0.676 . . . . 0.0 110.759 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.2 m-70 -65.63 -28.81 69.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -79.64 -30.42 41.31 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.489 0.662 . . . . 0.0 109.806 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.55 -0.719 . . . . 0.0 110.209 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -79.87 -18.97 49.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.665 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 22.2 ttpt -85.31 0.22 52.7 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.641 0.734 . . . . 0.0 110.213 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS 0.252 43.9 p90 . . . . . 0 C--N 1.294 -1.834 0 O-C-N 121.48 -0.762 . . . . 0.0 110.456 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -9.74 56.45 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.916 -0.755 . . . . 0.0 109.496 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.05 -55.12 6.06 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.95 0.881 . . . . 0.0 109.673 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.85 -8.35 56.18 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.43 0.633 . . . . 0.0 110.087 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -19.69 65.92 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.421 -0.8 . . . . 0.0 109.717 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 25.7 t -75.53 -31.57 60.14 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.619 0.723 . . . . 0.0 109.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 -13.77 59.72 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.595 -0.69 . . . . 0.0 109.437 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -79.87 -17.96 51.89 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.666 0.746 . . . . 0.0 109.633 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -85.69 -12.08 52.14 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.619 0.723 . . . . 0.0 109.855 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' A' ' 16' ' ' SER . 51.1 m-85 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 9.8 pttt -78.35 -9.52 59.3 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 121.641 -0.917 . . . . 0.0 109.95 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.91 -37.36 86.66 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.937 0.875 . . . . 0.0 109.019 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.05 -6.8 52.75 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.075 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.8 t-80 -60.52 -15.34 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.89 . . . . 0.0 109.322 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 12.4 t -76.64 -31.96 57.69 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.614 0.721 . . . . 0.0 109.727 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -15.51 19.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.611 -0.681 . . . . 0.0 109.933 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -81.27 -12.9 58.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.519 -0.738 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -85.44 -6.38 59.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.577 -0.702 . . . . 0.0 109.595 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.499 -0.751 . . . . 0.0 110.248 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.069 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.62 -18.7 62.19 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.829 0.824 . . . . 0.0 109.053 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -79.53 -61.42 2.01 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.153 0.978 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 17' ' ' ALA . 14.4 tp -61.34 -13.25 17.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.336 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -29.48 57.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.809 . . . . 0.0 109.632 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 23.0 t -75.46 -27.6 58.94 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.949 0.88 . . . . 0.0 109.305 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB2' HD12 ' A' ' 14' ' ' LEU . . . -65.73 -22.46 66.6 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.381 0.61 . . . . 0.0 110.227 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.91 -14.62 61.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.492 -0.755 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.7 -21.99 28.04 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.783 0.801 . . . . 0.0 109.971 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 16' ' ' SER . 11.5 m-85 . . . . . 0 C--N 1.297 -1.694 0 O-C-N 121.756 -0.59 . . . . 0.0 110.039 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.424 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 43.7 pttt -71.41 -13.63 61.9 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.627 -0.926 . . . . 0.0 109.672 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -72.7 -42.12 64.53 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 122.086 0.946 . . . . 0.0 109.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -68.25 -15.24 63.5 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.77 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -52.99 -22.25 5.44 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.19 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -79.14 -28.36 42.86 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.916 0.865 . . . . 0.0 109.019 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.11 -8.86 57.64 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.378 0.608 . . . . 0.0 109.794 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -26.54 63.59 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.98 0.895 . . . . 0.0 109.398 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -77.85 -8.82 58.58 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.586 0.708 . . . . 0.0 109.623 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 23.7 m-85 . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.511 -0.743 . . . . 0.0 109.896 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.3 -14.02 60.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.67 -0.9 . . . . 0.0 109.572 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.78 -44.45 63.97 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.925 0.869 . . . . 0.0 109.93 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 tp -64.48 -18.42 64.76 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.19 0.519 . . . . 0.0 110.469 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.6 m-70 -57.51 -34.34 68.99 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.154 -0.966 . . . . 0.0 108.396 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -76.94 -26.67 54.3 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.733 0.777 . . . . 0.0 109.387 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -50.55 -20.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.605 0.717 . . . . 0.0 110.004 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -16.88 59.17 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -85.65 -17.4 36.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.347 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 C--N 1.298 -1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 110.136 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -60.09 -15.68 25.35 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.6 -0.941 . . . . 0.0 109.092 178.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.88 -42.07 41.28 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.039 0.924 . . . . 0.0 109.824 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 17' ' ' ALA . 3.0 tp -67.56 -9.51 43.34 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.814 -0.554 . . . . 0.0 110.184 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.5 m-70 -53.86 -43.04 69.19 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.075 0.94 . . . . 0.0 108.981 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -78.46 -28.72 46.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.749 0.785 . . . . 0.0 109.773 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . . . -77.37 -7.37 55.98 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.733 -0.604 . . . . 0.0 109.991 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.91 -20.24 62.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.6 tptm -73.63 -8.43 55.94 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.459 0.647 . . . . 0.0 109.619 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--N 1.301 -1.529 0 O-C-N 121.546 -0.721 . . . . 0.0 110.368 -179.595 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -9.55 58.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.737 -0.861 . . . . 0.0 110.033 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.23 -40.89 67.44 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.928 0.87 . . . . 0.0 109.199 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tp -79.72 -16.22 56.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.539 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -60.23 -20.18 57.72 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.6 t -77.7 -30.67 51.95 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.916 0.865 . . . . 0.0 108.949 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.0 65.17 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.61 0.719 . . . . 0.0 109.173 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 4.7 pttp -81.23 -24.22 37.54 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.622 0.725 . . . . 0.0 109.481 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -71.51 -13.89 61.94 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.703 0.763 . . . . 0.0 109.284 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--N 1.299 -1.605 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.918 179.696 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 4.5 ttpt -66.44 -11.14 50.34 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.859 0.838 . . . . 0.0 109.197 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -34.99 73.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.345 -0.847 . . . . 0.0 110.376 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -65.97 -25.69 67.22 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 4.6 m-70 -54.55 -22.41 13.08 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 30.1 t -79.17 -32.07 44.14 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -18.32 40.29 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.21 -19.94 63.13 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.876 0.846 . . . . 0.0 108.941 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 16' ' ' SER . 3.1 mtmm -85.17 -6.11 59.3 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.482 0.658 . . . . 0.0 109.46 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.953 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.28 -2.06 26.42 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.628 -0.925 . . . . 0.0 109.71 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -85.34 -47.11 10.33 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.165 0.983 . . . . 0.0 110.229 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.01 -5.81 10.77 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.604 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -33.03 72.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.073 -1.017 . . . . 0.0 109.245 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -77.39 -27.29 52.44 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.706 0.765 . . . . 0.0 109.685 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 -14.94 60.6 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -15.82 56.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.855 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -13.38 50.51 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.717 0.77 . . . . 0.0 109.706 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.298 -1.631 0 O-C-N 121.711 -0.618 . . . . 0.0 109.843 179.517 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.283 0.564 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -139.61 -175.88 4.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -0.904 . . . . 0.0 110.543 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -75.93 -2.84 32.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' O ' HD13 ' A' ' 4' ' ' LEU . 3.6 tp -72.51 -24.94 61.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.407 -0.808 . . . . 0.0 109.681 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.53 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 6.2 m-85 -61.8 -30.94 71.15 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.671 0.748 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -77.39 -0.23 24.96 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 121.38 0.609 . . . . 0.0 110.049 179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.475 ' HA ' HG21 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -131.5 6.57 4.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.898 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.53 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 13.0 mm -52.75 -28.43 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.351 -0.843 . . . . 0.0 109.791 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.05 49.84 0.28 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.578 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -125.18 -39.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -1.106 . . . . 0.0 109.879 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -54.39 -66.44 2.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.488 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 50.6 mttt -70.76 -6.16 35.53 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.817 -0.813 . . . . 0.0 109.135 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.578 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -72.38 -49.14 36.22 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.077 0.941 . . . . 0.0 109.677 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 tp -61.61 -13.74 24.59 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.321 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.78 -30.14 68.67 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.373 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 t -78.07 -25.99 47.96 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.802 0.81 . . . . 0.0 109.618 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.24 -16.19 3.06 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.343 0.592 . . . . 0.0 110.264 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -75.62 -31.71 60.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 109.474 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 9.3 m-85 -113.9 80.92 1.44 Allowed 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.496 -0.752 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.944 0.402 . . . . 0.0 110.13 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' A' ' 1' ' ' LYS . 62.3 p-90 34.15 35.86 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.843 0.83 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 1' ' ' LYS . 1.2 mtmt -72.34 -25.62 61.62 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.685 0.755 . . . . 0.0 109.964 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 3.9 pp -77.37 -11.66 59.86 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.495 0.664 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -16.61 41.19 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.7 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' C ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -58.14 -8.7 1.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.71 -0.619 . . . . 0.0 111.601 -179.406 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.86 30.23 0.1 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.755 -1.216 . . . . 0.0 110.836 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.05 -53.54 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.938 -1.101 . . . . 0.0 111.039 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' HG21 ' A' ' 8' ' ' ILE . . . -121.84 -0.96 10.79 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.583 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.8 pt -96.57 -37.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 120.931 -1.334 . . . . 0.0 110.042 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.35 -43.43 51.66 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.446 -1.861 . . . . 0.0 108.446 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.3 ttpp -68.67 -18.24 64.24 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.691 0.757 . . . . 0.0 109.265 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.4 -46.66 75.84 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.754 0.788 . . . . 0.0 109.998 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.431 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.2 tp -77.65 -11.88 59.91 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.103 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -57.29 -19.84 24.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 109.037 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.8 t -74.11 -30.25 62.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.869 0.843 . . . . 0.0 109.292 179.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.431 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -55.57 -25.4 37.88 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.455 0.645 . . . . 0.0 110.058 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.723 0.773 . . . . 0.0 109.436 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.0 ttpp -72.08 -17.77 61.97 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.791 0.805 . . . . 0.0 109.626 179.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -106.47 -33.53 7.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.811 -0.555 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.435 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.425 0.631 . . . . 0.0 110.219 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 39.6 p-90 -133.07 43.86 2.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.71 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -68.61 -19.72 64.46 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.667 0.746 . . . . 0.0 109.779 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 2' ' ' TRP . 0.2 OUTLIER -54.76 -19.98 7.48 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -79.79 -30.64 40.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.526 -0.734 . . . . 0.0 110.523 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -71.07 -11.83 61.17 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.668 0.747 . . . . 0.0 109.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -108.58 6.06 25.62 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.716 -0.615 . . . . 0.0 109.573 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.442 ' O ' HG22 ' A' ' 8' ' ' ILE . 1.8 mm -84.49 -21.65 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 110.722 -179.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.29 106.42 0.27 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 118.943 -1.598 . . . . 0.0 110.617 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -128.52 -36.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 O-C-N 121.399 -1.059 . . . . 0.0 110.029 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -49.3 -43.97 34.67 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 1.5 pttm -67.16 -10.57 51.71 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.759 -0.848 . . . . 0.0 109.671 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 5.3 t80 -73.27 -55.19 6.76 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.028 0.918 . . . . 0.0 109.622 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -75.78 -8.69 57.47 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.356 0.598 . . . . 0.0 110.026 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.568 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -63.33 -12.75 32.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.358 -0.839 . . . . 0.0 109.791 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 t -76.82 -29.13 55.81 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.805 0.812 . . . . 0.0 109.391 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -13.7 13.42 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.329 0.585 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 11.1 ttpp -70.88 -16.3 62.68 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.284 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.495 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -78.89 -8.17 58.61 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.521 0.677 . . . . 0.0 109.183 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.495 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 24.1 m-85 -122.48 9.27 9.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.588 -0.695 . . . . 0.0 109.906 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.462 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 7.9 mttm . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.552 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -161.4 -165.41 1.31 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.167 -0.958 . . . . 0.0 110.513 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.1 pttt -61.54 -19.88 62.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.368 -0.833 . . . . 0.0 110.997 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.465 HD23 ' CD1' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -48.03 -29.88 3.89 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.693 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.562 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 1.4 m-85 -59.33 -27.02 65.52 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 121.718 -0.614 . . . . 0.0 110.735 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -3.02 15.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.452 -0.78 . . . . 0.0 109.95 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -147.44 35.05 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.317 -0.864 . . . . 0.0 110.075 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.562 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 38.8 mm -56.97 -57.26 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 120.78 -1.2 . . . . 0.0 108.793 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.73 -34.71 0.02 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.606 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 1.4 tp -105.3 -17.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.529 -0.983 . . . . 0.0 110.248 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -44.26 -81.55 0.03 OUTLIER Glycine 0 C--N 1.287 -2.174 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.514 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -69.79 -12.61 61.76 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.889 0.852 . . . . 0.0 109.925 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.606 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 64.9 t80 -56.63 -47.99 78.48 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.566 1.174 . . . . 0.0 109.304 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.486 HD11 ' CB ' ' A' ' 17' ' ' ALA . 16.2 tp -63.02 -28.97 70.46 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.29 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -46.95 -44.11 19.69 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.736 0.779 . . . . 0.0 109.985 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -73.98 -27.71 61.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.639 0.733 . . . . 0.0 110.144 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.486 ' CB ' HD11 ' A' ' 14' ' ' LEU . . . -68.73 -19.55 64.35 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.93 -179.301 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -80.92 -17.34 50.88 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.122 -0.986 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -86.77 -2.36 58.49 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.615 -0.678 . . . . 0.0 110.055 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 18.0 m-85 -128.48 107.33 9.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.243 0.544 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.96 171.25 2.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.364 -0.835 . . . . 0.0 110.48 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -72.47 -1.66 16.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.486 ' HG ' HD11 ' A' ' 8' ' ' ILE . 0.1 OUTLIER -61.6 -27.37 68.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.466 -0.771 . . . . 0.0 110.456 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 6' ' ' LYS . 40.5 p90 -34.69 -41.09 0.12 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.495 1.14 . . . . 0.0 110.665 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 12.3 mttt -38.16 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.009 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mptt -152.79 54.25 0.78 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.22 -0.925 . . . . 0.0 110.777 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.542 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 31.5 mm -56.34 -14.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.235 -0.916 . . . . 0.0 111.038 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.86 81.65 0.24 Allowed Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.229 -1.462 . . . . 0.0 110.586 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.582 ' CG2' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -165.81 -45.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -1.169 . . . . 0.0 109.765 179.326 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.582 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -60.69 -65.49 3.3 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -71.02 -9.86 58.76 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.555 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -68.74 -49.78 56.03 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.908 0.861 . . . . 0.0 109.704 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.6 tp -74.56 -28.8 61.1 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.53 0.681 . . . . 0.0 109.8 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.68 -22.86 37.9 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -79.19 -26.95 42.58 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.773 0.797 . . . . 0.0 109.253 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -15.7 17.01 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.503 0.668 . . . . 0.0 109.536 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.25 57.27 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.525 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -11.53 53.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 8.7 m-85 -115.65 89.49 3.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.49 -0.756 . . . . 0.0 109.97 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.388 0.613 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 40.2 p-90 -117.31 46.47 1.69 Allowed 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.223 1.011 . . . . 0.0 109.147 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.3 tptm -54.41 -10.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.778 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.458 ' C ' ' O ' ' A' ' 3' ' ' LYS . 1.3 tp -38.37 -30.03 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.208 -0.932 . . . . 0.0 110.433 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -57.31 -27.04 61.83 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.905 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 21.3 tttm -76.89 -0.76 25.38 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.635 -0.666 . . . . 0.0 109.5 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -126.36 9.39 7.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.383 -0.823 . . . . 0.0 109.91 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.4 mm -70.87 -50.67 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.0 110.582 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.4 108.65 0.36 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.568 ' N ' ' CD1' ' A' ' 10' ' ' ILE . 0.0 OUTLIER -114.99 -37.16 2.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.248 -1.148 . . . . 0.0 109.846 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.23 -41.71 79.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -72.41 -3.64 25.34 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.913 -0.757 . . . . 0.0 109.324 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 28.1 t80 -73.38 -49.66 26.04 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.224 1.011 . . . . 0.0 109.539 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -50.18 -21.1 1.2 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.376 -179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-70 -59.88 -28.18 67.33 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 108.858 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -72.41 -37.36 68.68 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.874 0.845 . . . . 0.0 109.045 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.607 0.718 . . . . 0.0 109.367 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -13.26 59.45 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.401 -0.812 . . . . 0.0 108.842 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -84.74 -12.53 53.56 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.609 0.719 . . . . 0.0 109.293 179.073 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 21.6 m-85 -123.46 56.62 1.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.508 -0.745 . . . . 0.0 110.092 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.756 -1.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.111 0.482 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -101.51 179.48 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.2 -0.938 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -67.3 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.384 -0.822 . . . . 0.0 110.887 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 5' ' ' PHE . 1.4 pp -60.35 -11.56 6.93 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.376 0.607 . . . . 0.0 110.782 -179.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 4' ' ' LEU . 1.7 m-30 -83.15 -29.94 28.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.256 -0.902 . . . . 0.0 109.623 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -7.25 20.06 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.369 0.604 . . . . 0.0 110.331 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -109.33 -0.32 19.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.894 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 33.1 mt -49.7 -23.84 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.728 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.33 95.76 0.12 Allowed Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.508 ' O ' ' N ' ' A' ' 13' ' ' PHE . 0.6 OUTLIER -113.89 -26.53 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.268 -1.136 . . . . 0.0 109.854 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -45.55 -44.89 11.95 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -72.99 -18.84 61.32 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.745 -0.856 . . . . 0.0 109.57 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' ILE . 8.1 t80 -73.27 -55.01 6.99 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.881 0.848 . . . . 0.0 109.707 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 14' ' ' LEU . 3.7 mm? -74.05 -12.84 60.74 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -19.17 64.1 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.49 -0.756 . . . . 0.0 109.844 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -77.78 -29.21 50.74 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.783 0.802 . . . . 0.0 109.454 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -71.27 -13.88 62.04 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.464 0.65 . . . . 0.0 109.882 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.69 -14.79 59.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' PHE . 4.3 ttpp -85.68 -6.33 59.15 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.535 0.683 . . . . 0.0 109.945 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -51.69 -168.14 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.49 -0.756 . . . . 0.0 111.968 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.331 0.586 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.546 ' HB3' ' CD2' ' A' ' 4' ' ' LEU . 58.2 t-105 -116.92 170.53 8.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 3.7 mttp -68.81 -0.89 5.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 111.245 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CD2' ' HB3' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -55.67 -21.86 20.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.857 -1.152 . . . . 0.0 109.707 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.54 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -81.39 -23.39 37.66 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.679 0.752 . . . . 0.0 110.076 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.45 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -68.28 -16.64 64.03 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.823 0.82 . . . . 0.0 109.353 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -139.07 30.72 2.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.63 -0.669 . . . . 0.0 109.582 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.597 ' CG2' ' N ' ' A' ' 9' ' ' GLY . 1.9 tp -64.37 -47.82 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.237 -0.915 . . . . 0.0 110.359 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.597 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -148.22 100.82 0.22 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 12.7 pt -95.46 -37.86 8.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.394 -1.062 . . . . 0.0 110.121 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' N ' HG13 ' A' ' 10' ' ' ILE . . . -53.04 -43.41 62.01 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -4.81 28.62 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.905 -0.761 . . . . 0.0 109.305 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -81.39 -52.01 7.73 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.721 0.772 . . . . 0.0 110.197 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.508 HD22 ' N ' ' A' ' 14' ' ' LEU . 1.7 mm? -74.52 -22.85 58.83 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.005 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -59.98 -15.56 23.26 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.489 -0.757 . . . . 0.0 109.418 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 7.8 t -75.77 -28.52 58.45 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.883 0.849 . . . . 0.0 109.482 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.03 -19.31 2.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.528 -0.733 . . . . 0.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -15.96 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.455 -0.778 . . . . 0.0 109.913 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -85.2 -3.19 58.73 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.593 -0.692 . . . . 0.0 109.666 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -123.18 -35.44 2.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.513 -0.742 . . . . 0.0 110.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.266 0 O-C-N 119.704 -1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.0 -176.1 2.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -6.54 20.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.063 -1.023 . . . . 0.0 110.462 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.457 ' O ' HD13 ' A' ' 8' ' ' ILE . 6.1 tp -63.62 -40.16 96.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.872 . . . . 0.0 110.176 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.483 ' O ' HD12 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -63.32 -26.85 68.95 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.689 0.757 . . . . 0.0 109.518 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 1.3 tmtt? -76.7 -0.63 24.33 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.563 0.697 . . . . 0.0 109.754 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -6.41 13.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.915 . . . . 0.0 109.653 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 4' ' ' LEU . 1.1 mp -71.72 -58.44 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.403 -0.81 . . . . 0.0 109.308 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.496 ' O ' ' HG2' ' A' ' 12' ' ' LYS . . . -165.4 -42.36 0.02 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' PHE . 3.1 pt -49.92 -31.49 7.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.417 -1.049 . . . . 0.0 110.686 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -43.61 -41.55 5.56 Favored Glycine 0 C--N 1.286 -2.242 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 44.2 pttt -67.92 -28.43 67.49 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.727 -0.866 . . . . 0.0 109.961 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -63.39 -49.98 71.69 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 122.076 0.941 . . . . 0.0 109.901 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.5 tp -71.49 -12.54 61.44 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.676 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.63 -19.61 50.37 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.885 . . . . 0.0 108.966 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -75.07 -28.77 60.48 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.072 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' CD2' ' A' ' 20' ' ' PHE . . . -72.62 -22.51 60.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.553 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 2.2 mtpp -68.02 -28.12 67.13 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.096 0.95 . . . . 0.0 109.123 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 20' ' ' PHE . 2.2 mttt -87.3 16.38 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -45.01 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.085 0.469 . . . . 0.0 111.844 -179.41 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.207 0.527 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.488 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 3.1 t-105 -146.45 -168.26 2.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 110.042 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.8 mtmt -67.64 -7.14 24.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 110.356 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.4 tp -51.19 -34.05 30.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.252 -0.905 . . . . 0.0 109.363 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.68 -21.45 30.17 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.677 0.751 . . . . 0.0 109.676 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.418 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 27.7 mmtt -70.14 -19.23 63.23 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.553 0.692 . . . . 0.0 109.964 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.472 ' O ' HG21 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -128.59 21.69 6.0 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.609 -0.682 . . . . 0.0 109.77 179.627 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.415 HG21 HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -53.01 -18.99 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.56 -0.712 . . . . 0.0 109.685 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.408 ' HA2' ' CD1' ' A' ' 13' ' ' PHE . . . -76.54 56.46 3.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.575 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 2.9 tp -162.97 -43.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.258 -1.142 . . . . 0.0 110.078 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.563 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.07 -71.2 0.77 Allowed Glycine 0 C--N 1.285 -2.253 0 N-CA-C 108.491 -1.844 . . . . 0.0 108.491 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -80.41 -6.66 58.41 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.798 -0.825 . . . . 0.0 109.577 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.575 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.35 -32.33 73.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.877 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 1.1 tp -79.12 -12.82 60.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.603 0.716 . . . . 0.0 109.567 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -30.72 71.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -77.9 -30.5 50.73 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.998 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.465 ' HB2' ' O ' ' A' ' 14' ' ' LEU . . . -51.02 -21.5 1.83 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 109.523 179.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -20.63 63.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.651 0.739 . . . . 0.0 109.5 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -86.05 -19.18 30.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.642 -0.661 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 26.0 m-85 -112.71 29.82 7.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.303 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.208 0.528 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' CD2' ' N ' ' A' ' 2' ' ' TRP . 15.4 p90 -135.69 40.79 2.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.194 -0.941 . . . . 0.0 110.473 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.437 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 1.1 mmtm -64.38 -52.29 59.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.705 0.764 . . . . 0.0 110.653 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 0.4 OUTLIER -62.01 -20.19 63.65 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.539 0.685 . . . . 0.0 110.723 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.86 -18.74 61.41 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.651 0.738 . . . . 0.0 110.62 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.473 ' O ' HG23 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.52 -7.29 4.37 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.669 -0.644 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -121.12 -8.77 9.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 1.1 mp -85.34 -20.96 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.205 -0.934 . . . . 0.0 110.091 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.98 68.57 0.27 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.654 -1.26 . . . . 0.0 110.179 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 5.2 tp -144.87 -41.05 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.119 -1.224 . . . . 0.0 110.008 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -51.92 -45.7 55.78 Favored Glycine 0 C--N 1.286 -2.197 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -82.24 -2.3 52.04 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.775 -0.838 . . . . 0.0 110.103 179.524 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -82.43 -31.35 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 109.826 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -77.64 -4.25 45.09 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.619 -0.676 . . . . 0.0 110.759 -179.222 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.496 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.2 m-70 -65.63 -28.81 69.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -79.64 -30.42 41.31 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.489 0.662 . . . . 0.0 109.806 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.55 -0.719 . . . . 0.0 110.209 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -79.87 -18.97 49.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.665 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 22.2 ttpt -85.31 0.22 52.7 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.641 0.734 . . . . 0.0 110.213 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CG ' ' N ' ' A' ' 21' ' ' NH2 0.252 43.9 p90 -43.04 -35.18 1.19 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.48 -0.762 . . . . 0.0 110.456 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . 0.511 ' N ' ' CG ' ' A' ' 20' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.0 mttm . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.519 0.676 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.519 ' CE3' ' HG2' ' A' ' 3' ' ' LYS . 4.8 t90 -165.88 -170.11 1.68 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.457 -0.777 . . . . 0.0 109.464 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.519 ' HG2' ' CE3' ' A' ' 2' ' ' TRP . 4.3 ptpt -52.97 -19.47 2.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.035 -1.04 . . . . 0.0 109.745 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.527 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 1.1 tp -40.3 -26.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.484 -0.76 . . . . 0.0 110.439 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 3' ' ' LYS . 5.7 m-85 -51.14 -39.59 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.401 -0.812 . . . . 0.0 110.459 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.81 -7.49 45.66 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.407 -0.808 . . . . 0.0 109.477 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -112.32 4.58 17.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.45 -0.781 . . . . 0.0 109.948 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.43 HG12 ' O ' ' A' ' 4' ' ' LEU . 24.1 mm -77.57 -69.39 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.144 -0.972 . . . . 0.0 109.739 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.55 85.62 0.1 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -117.47 -33.85 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.963 -1.316 . . . . 0.0 110.145 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -43.6 45.11 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -9.74 56.45 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.916 -0.755 . . . . 0.0 109.496 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -75.05 -55.12 6.06 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.95 0.881 . . . . 0.0 109.673 179.469 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.85 -8.35 56.18 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.43 0.633 . . . . 0.0 110.087 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -19.69 65.92 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.421 -0.8 . . . . 0.0 109.717 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 25.7 t -75.53 -31.57 60.14 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.619 0.723 . . . . 0.0 109.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 -13.77 59.72 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.595 -0.69 . . . . 0.0 109.437 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -79.87 -17.96 51.89 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.666 0.746 . . . . 0.0 109.633 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -85.69 -12.08 52.14 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.619 0.723 . . . . 0.0 109.855 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' A' ' 16' ' ' SER . 51.1 m-85 -118.62 -5.59 10.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.789 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.277 0.561 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 5.6 m0 -92.51 -163.82 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.267 -0.895 . . . . 0.0 110.453 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -9.89 7.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.634 -0.666 . . . . 0.0 110.722 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 tp -56.2 -30.81 62.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.336 -0.853 . . . . 0.0 111.135 -179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -79.35 -20.78 46.95 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.327 -0.858 . . . . 0.0 110.821 -179.092 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.38 -10.23 6.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.567 -0.708 . . . . 0.0 110.82 -179.564 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 6.0 ptpp? -122.22 16.84 10.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.155 -0.965 . . . . 0.0 109.773 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.0 mm -85.56 -16.77 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 110.932 -179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.11 64.79 0.26 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.824 -1.311 . . . . 0.0 109.824 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 1.5 pt -129.46 -35.52 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.166 -1.196 . . . . 0.0 110.871 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.43 -44.79 16.33 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.465 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 9.8 pttt -78.35 -9.52 59.3 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 121.641 -0.917 . . . . 0.0 109.95 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 2.0 t80 -62.91 -37.36 86.66 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.937 0.875 . . . . 0.0 109.019 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.4 tp -76.05 -6.8 52.75 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.075 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.465 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.8 t-80 -60.52 -15.34 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.89 . . . . 0.0 109.322 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.444 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 12.4 t -76.64 -31.96 57.69 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.614 0.721 . . . . 0.0 109.727 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -15.51 19.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.611 -0.681 . . . . 0.0 109.933 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -81.27 -12.9 58.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.519 -0.738 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -85.44 -6.38 59.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.577 -0.702 . . . . 0.0 109.595 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 42.3 m-85 -118.14 80.83 1.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.499 -0.751 . . . . 0.0 110.248 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.181 0.515 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.446 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.5 t-105 -156.52 -162.71 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.182 -0.949 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.513 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 7.5 mtmt -44.45 -22.33 0.07 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.649 -0.657 . . . . 0.0 111.351 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.502 ' O ' ' CD1' ' A' ' 4' ' ' LEU . 1.6 tp -44.87 -24.44 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.36 -0.837 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.475 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -66.6 -19.18 65.71 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.492 -0.755 . . . . 0.0 111.036 -179.479 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.513 ' NZ ' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -57.6 -13.61 4.13 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.461 -0.774 . . . . 0.0 110.522 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -119.43 18.34 12.87 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.204 -0.935 . . . . 0.0 110.187 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 3.2 mm -75.26 -40.16 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 110.563 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.3 -38.05 0.02 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.15 -1.5 . . . . 0.0 110.714 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.513 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.3 pp -61.93 -41.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 120.923 -1.34 . . . . 0.0 110.964 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -44.69 50.98 Favored Glycine 0 C--N 1.285 -2.283 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.62 -18.7 62.19 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.829 0.824 . . . . 0.0 109.053 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.513 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 78.7 t80 -79.53 -61.42 2.01 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.153 0.978 . . . . 0.0 109.623 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD12 ' HB2' ' A' ' 17' ' ' ALA . 14.4 tp -61.34 -13.25 17.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.336 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -29.48 57.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.809 . . . . 0.0 109.632 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 23.0 t -75.46 -27.6 58.94 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.949 0.88 . . . . 0.0 109.305 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.429 ' HB2' HD12 ' A' ' 14' ' ' LEU . . . -65.73 -22.46 66.6 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.381 0.61 . . . . 0.0 110.227 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.91 -14.62 61.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.492 -0.755 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.7 -21.99 28.04 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.783 0.801 . . . . 0.0 109.971 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 16' ' ' SER . 11.5 m-85 -106.32 -65.14 1.1 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.756 -0.59 . . . . 0.0 110.039 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.773 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 mttm . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.13 0.491 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -172.42 -154.3 0.08 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.246 -0.909 . . . . 0.0 110.601 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.466 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -37.17 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.588 0.709 . . . . 0.0 111.308 -179.359 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 2' ' ' TRP . 59.9 tp -39.97 -59.13 1.27 Allowed 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.517 -0.739 . . . . 0.0 112.006 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -79.99 -21.32 43.79 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.379 -0.825 . . . . 0.0 112.03 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -4.65 11.34 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.285 -0.885 . . . . 0.0 110.74 -179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.2 mttm -121.61 10.43 10.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.973 . . . . 0.0 110.219 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 11.4 mm -70.77 -23.74 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.337 -0.852 . . . . 0.0 110.626 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -165.49 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 C-N-CA 119.617 -1.278 . . . . 0.0 110.466 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.552 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -73.68 -39.64 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.071 -1.252 . . . . 0.0 110.417 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.489 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -45.09 -58.05 5.21 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 43.7 pttt -71.41 -13.63 61.9 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.627 -0.926 . . . . 0.0 109.672 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.552 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 15.4 t80 -72.7 -42.12 64.53 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 122.086 0.946 . . . . 0.0 109.878 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 tp -68.25 -15.24 63.5 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.77 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.482 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -52.99 -22.25 5.44 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.19 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -79.14 -28.36 42.86 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.916 0.865 . . . . 0.0 109.019 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.11 -8.86 57.64 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.378 0.608 . . . . 0.0 109.794 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -26.54 63.59 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.98 0.895 . . . . 0.0 109.398 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -77.85 -8.82 58.58 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.586 0.708 . . . . 0.0 109.623 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.544 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 23.7 m-85 -120.94 18.18 11.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.511 -0.743 . . . . 0.0 109.896 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.199 0.524 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.526 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.86 -159.9 1.03 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.426 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' CG ' ' HD2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -65.3 -4.66 5.67 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.628 -0.67 . . . . 0.0 111.932 -178.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.569 HD21 ' CD2' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -62.98 -19.33 64.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.888 -1.132 . . . . 0.0 109.779 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.573 ' CD1' HD13 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -85.74 -18.81 32.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.475 0.655 . . . . 0.0 111.226 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.458 ' HD2' ' CG ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -54.11 -14.95 1.23 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 111.156 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -103.19 -10.67 18.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.183 -0.948 . . . . 0.0 110.641 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.573 HD13 ' CD1' ' A' ' 5' ' ' PHE . 20.2 mt -83.4 -6.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.75 46.84 1.06 Allowed Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.48 ' O ' ' N ' ' A' ' 13' ' ' PHE . 8.9 pt -58.09 -44.4 87.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.142 -1.211 . . . . 0.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.447 ' N ' HG13 ' A' ' 10' ' ' ILE . . . -46.54 -46.58 17.64 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.3 -14.02 60.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.67 -0.9 . . . . 0.0 109.572 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 10' ' ' ILE . 5.0 t80 -71.78 -44.45 63.97 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.925 0.869 . . . . 0.0 109.93 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 tp -64.48 -18.42 64.76 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.19 0.519 . . . . 0.0 110.469 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.581 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.6 m-70 -57.51 -34.34 68.99 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.154 -0.966 . . . . 0.0 108.396 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -76.94 -26.67 54.3 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.733 0.777 . . . . 0.0 109.387 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -50.55 -20.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.605 0.717 . . . . 0.0 110.004 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.67 -16.88 59.17 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -85.65 -17.4 36.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.347 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.21 134.82 54.8 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 110.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.235 0.541 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.634 ' CZ2' ' HB2' ' A' ' 4' ' ' LEU . 5.9 p90 -158.22 -151.44 0.29 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.17 -0.956 . . . . 0.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 15.2 mtpp -48.25 -18.19 0.19 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.906 -0.497 . . . . 0.0 111.73 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.634 ' HB2' ' CZ2' ' A' ' 2' ' ' TRP . 0.5 OUTLIER -47.71 -32.07 5.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.899 -1.125 . . . . 0.0 109.878 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.446 ' HA ' HD11 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -60.42 -25.57 66.05 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.614 -0.679 . . . . 0.0 110.414 -179.593 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -65.91 -10.0 34.68 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.199 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HA ' HG23 ' A' ' 10' ' ' ILE . 3.7 tmtt? -80.8 -23.16 39.45 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.39 -0.819 . . . . 0.0 109.521 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.462 ' CD1' ' N ' ' A' ' 8' ' ' ILE . 2.2 mp -73.5 -20.21 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.591 -0.693 . . . . 0.0 110.023 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 23.89 31.81 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.609 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -156.06 -39.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -1.083 . . . . 0.0 109.859 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -43.42 -71.54 0.41 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -60.09 -15.68 25.35 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.6 -0.941 . . . . 0.0 109.092 178.645 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -76.88 -42.07 41.28 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.039 0.924 . . . . 0.0 109.824 179.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' ILE . 3.0 tp -67.56 -9.51 43.34 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.814 -0.554 . . . . 0.0 110.184 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.532 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.5 m-70 -53.86 -43.04 69.19 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.075 0.94 . . . . 0.0 108.981 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -78.46 -28.72 46.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.749 0.785 . . . . 0.0 109.773 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.441 ' HB2' ' HA ' ' A' ' 14' ' ' LEU . . . -77.37 -7.37 55.98 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.733 -0.604 . . . . 0.0 109.991 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.91 -20.24 62.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.6 tptm -73.63 -8.43 55.94 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.459 0.647 . . . . 0.0 109.619 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -125.15 154.36 41.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.546 -0.721 . . . . 0.0 110.368 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.519 ' O ' ' CB ' ' A' ' 2' ' ' TRP . 10.5 ttmt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.219 0.533 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.519 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 70.62 -156.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.11 -0.994 . . . . 0.0 110.861 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.536 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -39.84 -24.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.786 -0.571 . . . . 0.0 111.627 -179.375 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -41.12 -37.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.411 -0.806 . . . . 0.0 110.038 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.572 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -48.24 -21.51 0.51 Allowed 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.513 0.673 . . . . 0.0 110.821 -179.613 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -12.78 1.81 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.622 -0.674 . . . . 0.0 111.233 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.09 2.16 3.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 110.292 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.475 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 2.6 mm -81.73 -43.22 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.393 -0.817 . . . . 0.0 110.139 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.04 88.1 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.5 pt -112.76 -37.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.439 -1.036 . . . . 0.0 109.944 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.42 19.28 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -9.55 58.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.737 -0.861 . . . . 0.0 110.033 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 t80 -72.23 -40.89 67.44 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.928 0.87 . . . . 0.0 109.199 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.3 tp -79.72 -16.22 56.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.539 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -60.23 -20.18 57.72 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.583 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.6 t -77.7 -30.67 51.95 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.916 0.865 . . . . 0.0 108.949 178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.0 65.17 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.61 0.719 . . . . 0.0 109.173 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 4.7 pttp -81.23 -24.22 37.54 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.622 0.725 . . . . 0.0 109.481 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.1 mttt -71.51 -13.89 61.94 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.703 0.763 . . . . 0.0 109.284 179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.62 68.17 0.7 Allowed 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.918 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.946 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.301 0.572 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 60.5 p-90 -134.81 39.53 2.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.919 0.866 . . . . 0.0 110.0 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -0.67 19.52 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 121.813 -0.554 . . . . 0.0 110.346 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -67.56 -11.07 57.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.914 . . . . 0.0 109.93 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -85.31 -23.7 27.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.811 0.815 . . . . 0.0 110.409 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -17.89 2.44 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.35 0.595 . . . . 0.0 111.235 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -104.49 -26.62 12.32 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.2 mm -85.85 -17.44 9.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.648 -0.657 . . . . 0.0 110.257 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.27 61.23 0.33 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.571 ' CG2' ' N ' ' A' ' 11' ' ' GLY . 11.1 tp -148.86 -43.59 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -1.159 . . . . 0.0 109.431 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.571 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -50.29 -73.7 0.35 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.526 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 4.5 ttpt -66.44 -11.14 50.34 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.859 0.838 . . . . 0.0 109.197 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.564 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -70.17 -34.99 73.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.345 -0.847 . . . . 0.0 110.376 179.715 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.7 tp -65.97 -25.69 67.22 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.902 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 4.6 m-70 -54.55 -22.41 13.08 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 30.1 t -79.17 -32.07 44.14 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -18.32 40.29 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.21 -19.94 63.13 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.876 0.846 . . . . 0.0 108.941 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 16' ' ' SER . 3.1 mtmm -85.17 -6.11 59.3 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.482 0.658 . . . . 0.0 109.46 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -129.73 141.26 50.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.953 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.88 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.418 0.628 . . . . 0.0 109.879 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -147.57 34.97 0.86 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.922 0.868 . . . . 0.0 110.004 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.0 tttt -69.66 -7.0 35.22 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.403 0.62 . . . . 0.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -70.57 -19.09 62.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.301 -0.875 . . . . 0.0 109.956 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.467 ' O ' ' N ' ' A' ' 8' ' ' ILE . 0.5 OUTLIER -85.28 -22.14 28.72 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.614 0.721 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -44.92 -44.92 10.1 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.548 0.69 . . . . 0.0 110.216 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -29.97 68.34 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.887 0.851 . . . . 0.0 109.325 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' PHE . 36.3 mm -85.52 -5.36 9.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.496 0.665 . . . . 0.0 109.74 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.468 ' C ' ' HB2' ' A' ' 13' ' ' PHE . . . -77.97 3.48 61.08 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.562 ' N ' ' HB2' ' A' ' 13' ' ' PHE . 1.2 tp -146.43 -71.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.151 -1.205 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.5 ' H ' ' CG2' ' A' ' 10' ' ' ILE . . . -43.52 -69.67 0.64 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.28 -2.06 26.42 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.628 -0.925 . . . . 0.0 109.71 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.562 ' HB2' ' N ' ' A' ' 10' ' ' ILE . 11.3 t80 -85.34 -47.11 10.33 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.165 0.983 . . . . 0.0 110.229 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.01 -5.81 10.77 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.604 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -33.03 72.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.073 -1.017 . . . . 0.0 109.245 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -77.39 -27.29 52.44 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.706 0.765 . . . . 0.0 109.685 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 -14.94 60.6 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -15.82 56.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.855 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -13.38 50.51 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.717 0.77 . . . . 0.0 109.706 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -112.46 -126.67 0.28 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.711 -0.618 . . . . 0.0 109.843 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.639 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 50.6 mttt -70.76 -6.16 35.53 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.817 -0.813 . . . . 0.0 109.135 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.38 -49.14 36.22 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.077 0.941 . . . . 0.0 109.677 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 14' ' ' LEU . 5.5 tp -61.61 -13.74 24.59 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.321 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.78 -30.14 68.67 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.373 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 t -78.07 -25.99 47.96 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.802 0.81 . . . . 0.0 109.618 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -55.24 -16.19 3.06 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.343 0.592 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -75.62 -31.71 60.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 109.474 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 9.3 m-85 . . . . . 0 C--N 1.301 -1.506 0 O-C-N 121.496 -0.752 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 108.446 -1.861 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 8.3 ttpp -68.67 -18.24 64.24 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.691 0.757 . . . . 0.0 109.265 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -46.66 75.84 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.754 0.788 . . . . 0.0 109.998 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.2 tp -77.65 -11.88 59.91 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.103 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -57.29 -19.84 24.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 109.037 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 34.8 t -74.11 -30.25 62.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.869 0.843 . . . . 0.0 109.292 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -25.4 37.88 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.455 0.645 . . . . 0.0 110.058 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.723 0.773 . . . . 0.0 109.436 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' SER . 6.0 ttpp -72.08 -17.77 61.97 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.791 0.805 . . . . 0.0 109.626 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 C--N 1.296 -1.737 0 O-C-N 121.811 -0.555 . . . . 0.0 110.072 -179.719 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 1.5 pttm -67.16 -10.57 51.71 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.759 -0.848 . . . . 0.0 109.671 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -73.27 -55.19 6.76 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.028 0.918 . . . . 0.0 109.622 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.5 mm? -75.78 -8.69 57.47 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.356 0.598 . . . . 0.0 110.026 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -63.33 -12.75 32.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.358 -0.839 . . . . 0.0 109.791 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 t -76.82 -29.13 55.81 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.805 0.812 . . . . 0.0 109.391 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -13.7 13.42 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.329 0.585 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 11.1 ttpp -70.88 -16.3 62.68 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.284 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -78.89 -8.17 58.61 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.521 0.677 . . . . 0.0 109.183 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 24.1 m-85 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.588 -0.695 . . . . 0.0 109.906 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.027 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -69.79 -12.61 61.76 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.889 0.852 . . . . 0.0 109.925 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -56.63 -47.99 78.48 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.566 1.174 . . . . 0.0 109.304 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 14' ' ' LEU . 16.2 tp -63.02 -28.97 70.46 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.29 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -46.95 -44.11 19.69 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.736 0.779 . . . . 0.0 109.985 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -73.98 -27.71 61.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.639 0.733 . . . . 0.0 110.144 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.73 -19.55 64.35 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.93 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -80.92 -17.34 50.88 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.122 -0.986 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -86.77 -2.36 58.49 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.615 -0.678 . . . . 0.0 110.055 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 18.0 m-85 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -71.02 -9.86 58.76 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.74 -49.78 56.03 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.908 0.861 . . . . 0.0 109.704 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.6 tp -74.56 -28.8 61.1 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.53 0.681 . . . . 0.0 109.8 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -56.68 -22.86 37.9 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -79.19 -26.95 42.58 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.773 0.797 . . . . 0.0 109.253 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -15.7 17.01 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.503 0.668 . . . . 0.0 109.536 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.25 57.27 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -11.53 53.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 8.7 m-85 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.49 -0.756 . . . . 0.0 109.97 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -72.41 -3.64 25.34 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.913 -0.757 . . . . 0.0 109.324 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -73.38 -49.66 26.04 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.224 1.011 . . . . 0.0 109.539 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 14' ' ' LEU . 2.5 mm? -50.18 -21.1 1.2 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.376 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-70 -59.88 -28.18 67.33 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 108.858 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -72.41 -37.36 68.68 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.874 0.845 . . . . 0.0 109.045 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.607 0.718 . . . . 0.0 109.367 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -13.26 59.45 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.401 -0.812 . . . . 0.0 108.842 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -84.74 -12.53 53.56 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.609 0.719 . . . . 0.0 109.293 179.073 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 21.6 m-85 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.508 -0.745 . . . . 0.0 110.092 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -72.99 -18.84 61.32 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.745 -0.856 . . . . 0.0 109.57 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.27 -55.01 6.99 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.881 0.848 . . . . 0.0 109.707 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.7 mm? -74.05 -12.84 60.74 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -19.17 64.1 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.49 -0.756 . . . . 0.0 109.844 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -77.78 -29.21 50.74 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.783 0.802 . . . . 0.0 109.454 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -71.27 -13.88 62.04 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.464 0.65 . . . . 0.0 109.882 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.69 -14.79 59.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' PHE . 4.3 ttpp -85.68 -6.33 59.15 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.535 0.683 . . . . 0.0 109.945 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.579 0 O-C-N 121.49 -0.756 . . . . 0.0 111.968 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -4.81 28.62 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.905 -0.761 . . . . 0.0 109.305 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -52.01 7.73 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.721 0.772 . . . . 0.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 14' ' ' LEU . 1.7 mm? -74.52 -22.85 58.83 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.005 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -59.98 -15.56 23.26 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.489 -0.757 . . . . 0.0 109.418 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 7.8 t -75.77 -28.52 58.45 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.883 0.849 . . . . 0.0 109.482 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.03 -19.31 2.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.528 -0.733 . . . . 0.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -15.96 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.455 -0.778 . . . . 0.0 109.913 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -85.2 -3.19 58.73 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.593 -0.692 . . . . 0.0 109.666 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.513 -0.742 . . . . 0.0 110.158 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 44.2 pttt -67.92 -28.43 67.49 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.727 -0.866 . . . . 0.0 109.961 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -49.98 71.69 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 122.076 0.941 . . . . 0.0 109.901 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 tp -71.49 -12.54 61.44 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.676 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.63 -19.61 50.37 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.885 . . . . 0.0 108.966 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -75.07 -28.77 60.48 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.072 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' CD2' ' A' ' 20' ' ' PHE . . . -72.62 -22.51 60.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.553 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 2.2 mtpp -68.02 -28.12 67.13 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.096 0.95 . . . . 0.0 109.123 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 20' ' ' PHE . 2.2 mttt -87.3 16.38 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 121.085 0.469 . . . . 0.0 111.844 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.105 0 N-CA-C 108.491 -1.844 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -80.41 -6.66 58.41 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.798 -0.825 . . . . 0.0 109.577 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -32.33 73.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 14' ' ' LEU . 1.1 tp -79.12 -12.82 60.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.603 0.716 . . . . 0.0 109.567 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -30.72 71.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -77.9 -30.5 50.73 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.998 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -21.5 1.83 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 109.523 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -20.63 63.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.651 0.739 . . . . 0.0 109.5 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -86.05 -19.18 30.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.642 -0.661 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 26.0 m-85 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.303 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -82.24 -2.3 52.04 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.775 -0.838 . . . . 0.0 110.103 179.524 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -31.35 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 109.826 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -77.64 -4.25 45.09 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.619 -0.676 . . . . 0.0 110.759 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.2 m-70 -65.63 -28.81 69.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -79.64 -30.42 41.31 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.489 0.662 . . . . 0.0 109.806 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.55 -0.719 . . . . 0.0 110.209 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -79.87 -18.97 49.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.665 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 22.2 ttpt -85.31 0.22 52.7 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.641 0.734 . . . . 0.0 110.213 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS 0.252 43.9 p90 . . . . . 0 C--N 1.294 -1.834 0 O-C-N 121.48 -0.762 . . . . 0.0 110.456 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -9.74 56.45 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.916 -0.755 . . . . 0.0 109.496 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.05 -55.12 6.06 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.95 0.881 . . . . 0.0 109.673 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.9 mm? -74.85 -8.35 56.18 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.43 0.633 . . . . 0.0 110.087 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -19.69 65.92 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.421 -0.8 . . . . 0.0 109.717 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 25.7 t -75.53 -31.57 60.14 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.619 0.723 . . . . 0.0 109.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 -13.77 59.72 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.595 -0.69 . . . . 0.0 109.437 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -79.87 -17.96 51.89 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.666 0.746 . . . . 0.0 109.633 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -85.69 -12.08 52.14 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.619 0.723 . . . . 0.0 109.855 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' A' ' 16' ' ' SER . 51.1 m-85 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 9.8 pttt -78.35 -9.52 59.3 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 121.641 -0.917 . . . . 0.0 109.95 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.91 -37.36 86.66 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.937 0.875 . . . . 0.0 109.019 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.4 tp -76.05 -6.8 52.75 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.075 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.8 t-80 -60.52 -15.34 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.89 . . . . 0.0 109.322 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 12.4 t -76.64 -31.96 57.69 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.614 0.721 . . . . 0.0 109.727 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -15.51 19.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.611 -0.681 . . . . 0.0 109.933 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -81.27 -12.9 58.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.519 -0.738 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -85.44 -6.38 59.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.577 -0.702 . . . . 0.0 109.595 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.499 -0.751 . . . . 0.0 110.248 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.069 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.62 -18.7 62.19 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.829 0.824 . . . . 0.0 109.053 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -79.53 -61.42 2.01 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.153 0.978 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 14' ' ' LEU . 14.4 tp -61.34 -13.25 17.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.336 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -29.48 57.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.809 . . . . 0.0 109.632 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 23.0 t -75.46 -27.6 58.94 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.949 0.88 . . . . 0.0 109.305 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -65.73 -22.46 66.6 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.381 0.61 . . . . 0.0 110.227 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.91 -14.62 61.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.492 -0.755 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.7 -21.99 28.04 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.783 0.801 . . . . 0.0 109.971 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 16' ' ' SER . 11.5 m-85 . . . . . 0 C--N 1.297 -1.694 0 O-C-N 121.756 -0.59 . . . . 0.0 110.039 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.424 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 43.7 pttt -71.41 -13.63 61.9 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.627 -0.926 . . . . 0.0 109.672 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -72.7 -42.12 64.53 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 122.086 0.946 . . . . 0.0 109.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 14' ' ' LEU . 7.4 tp -68.25 -15.24 63.5 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.77 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -52.99 -22.25 5.44 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.19 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -79.14 -28.36 42.86 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.916 0.865 . . . . 0.0 109.019 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.11 -8.86 57.64 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.378 0.608 . . . . 0.0 109.794 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -26.54 63.59 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.98 0.895 . . . . 0.0 109.398 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -77.85 -8.82 58.58 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.586 0.708 . . . . 0.0 109.623 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 23.7 m-85 . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.511 -0.743 . . . . 0.0 109.896 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -75.3 -14.02 60.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.67 -0.9 . . . . 0.0 109.572 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.78 -44.45 63.97 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.925 0.869 . . . . 0.0 109.93 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.554 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 tp -64.48 -18.42 64.76 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.19 0.519 . . . . 0.0 110.469 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 36.9 m170 -57.51 -34.34 68.99 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.154 -0.966 . . . . 0.0 108.396 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -76.94 -26.67 54.3 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.733 0.777 . . . . 0.0 109.387 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -50.55 -20.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.605 0.717 . . . . 0.0 110.004 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.67 -16.88 59.17 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -85.65 -17.4 36.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.347 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 C--N 1.298 -1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 110.136 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -60.09 -15.68 25.35 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.6 -0.941 . . . . 0.0 109.092 178.645 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.88 -42.07 41.28 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.039 0.924 . . . . 0.0 109.824 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 14' ' ' LEU . 3.0 tp -67.56 -9.51 43.34 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.814 -0.554 . . . . 0.0 110.184 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.3 m80 -53.86 -43.04 69.19 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.075 0.94 . . . . 0.0 108.981 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -78.46 -28.72 46.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.749 0.785 . . . . 0.0 109.773 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -77.37 -7.37 55.98 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.733 -0.604 . . . . 0.0 109.991 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.91 -20.24 62.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.6 tptm -73.63 -8.43 55.94 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.459 0.647 . . . . 0.0 109.619 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--N 1.301 -1.529 0 O-C-N 121.546 -0.721 . . . . 0.0 110.368 -179.595 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -9.55 58.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.737 -0.861 . . . . 0.0 110.033 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.23 -40.89 67.44 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.928 0.87 . . . . 0.0 109.199 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.3 tp -79.72 -16.22 56.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.539 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -60.23 -20.18 57.72 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.583 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 27.6 t -77.7 -30.67 51.95 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.916 0.865 . . . . 0.0 108.949 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.0 65.17 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.61 0.719 . . . . 0.0 109.173 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 4.7 pttp -81.23 -24.22 37.54 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.622 0.725 . . . . 0.0 109.481 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 7.1 mttt -71.51 -13.89 61.94 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.703 0.763 . . . . 0.0 109.284 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--N 1.299 -1.605 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.918 179.696 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 4.5 ttpt -66.44 -11.14 50.34 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.859 0.838 . . . . 0.0 109.197 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -34.99 73.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.345 -0.847 . . . . 0.0 110.376 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.7 tp -65.97 -25.69 67.22 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -54.55 -22.41 13.08 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 30.1 t -79.17 -32.07 44.14 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -18.32 40.29 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.21 -19.94 63.13 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.876 0.846 . . . . 0.0 108.941 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' SER . 3.1 mtmm -85.17 -6.11 59.3 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.482 0.658 . . . . 0.0 109.46 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.953 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.28 -2.06 26.42 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.628 -0.925 . . . . 0.0 109.71 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -85.34 -47.11 10.33 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.165 0.983 . . . . 0.0 110.229 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -66.01 -5.81 10.77 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.604 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -33.03 72.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.073 -1.017 . . . . 0.0 109.245 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -77.39 -27.29 52.44 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.706 0.765 . . . . 0.0 109.685 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 -14.94 60.6 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -15.82 56.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.855 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -13.38 50.51 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.717 0.77 . . . . 0.0 109.706 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.298 -1.631 0 O-C-N 121.711 -0.618 . . . . 0.0 109.843 179.517 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.283 0.564 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -139.61 -175.88 4.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -0.904 . . . . 0.0 110.543 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -75.93 -2.84 32.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.6 tp -72.51 -24.94 61.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.407 -0.808 . . . . 0.0 109.681 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.575 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 6.2 m-85 -61.8 -30.94 71.15 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.671 0.748 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -0.23 24.96 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 121.38 0.609 . . . . 0.0 110.049 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -131.5 6.57 4.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.898 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.575 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 13.0 mm -52.75 -28.43 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.351 -0.843 . . . . 0.0 109.791 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.05 49.84 0.28 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.637 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -125.18 -39.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -1.106 . . . . 0.0 109.879 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -54.39 -66.44 2.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 50.6 mttt -70.76 -6.16 35.53 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.817 -0.813 . . . . 0.0 109.135 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.637 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -72.38 -49.14 36.22 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.077 0.941 . . . . 0.0 109.677 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 14' ' ' LEU . 5.5 tp -61.61 -13.74 24.59 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.321 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.78 -30.14 68.67 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.373 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 t -78.07 -25.99 47.96 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.802 0.81 . . . . 0.0 109.618 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -55.24 -16.19 3.06 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.343 0.592 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -75.62 -31.71 60.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 109.474 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 9.3 m-85 -113.9 80.92 1.44 Allowed 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.496 -0.752 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.944 0.402 . . . . 0.0 110.13 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' A' ' 1' ' ' LYS . 62.3 p-90 34.15 35.86 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.843 0.83 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 1' ' ' LYS . 1.2 mtmt -72.34 -25.62 61.62 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.685 0.755 . . . . 0.0 109.964 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.079 ' O ' HD13 ' A' ' 8' ' ' ILE . 3.9 pp -77.37 -11.66 59.86 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.495 0.664 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -16.61 41.19 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.7 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -58.14 -8.7 1.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.71 -0.619 . . . . 0.0 111.601 -179.406 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.86 30.23 0.1 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.755 -1.216 . . . . 0.0 110.836 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.079 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.05 -53.54 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.938 -1.101 . . . . 0.0 111.039 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.588 ' N ' HG22 ' A' ' 8' ' ' ILE . . . -121.84 -0.96 10.79 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.583 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.8 pt -96.57 -37.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 120.931 -1.334 . . . . 0.0 110.042 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.35 -43.43 51.66 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.446 -1.861 . . . . 0.0 108.446 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 8.3 ttpp -68.67 -18.24 64.24 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.691 0.757 . . . . 0.0 109.265 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.4 -46.66 75.84 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.754 0.788 . . . . 0.0 109.998 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.2 tp -77.65 -11.88 59.91 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.103 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -57.29 -19.84 24.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 109.037 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 34.8 t -74.11 -30.25 62.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.869 0.843 . . . . 0.0 109.292 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -25.4 37.88 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.455 0.645 . . . . 0.0 110.058 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.723 0.773 . . . . 0.0 109.436 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' SER . 6.0 ttpp -72.08 -17.77 61.97 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.791 0.805 . . . . 0.0 109.626 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -106.47 -33.53 7.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.811 -0.555 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.435 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.425 0.631 . . . . 0.0 110.219 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.453 ' HA ' HD21 ' A' ' 4' ' ' LEU . 39.6 p-90 -133.07 43.86 2.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.71 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -68.61 -19.72 64.46 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.667 0.746 . . . . 0.0 109.779 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -54.76 -19.98 7.48 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -79.79 -30.64 40.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.526 -0.734 . . . . 0.0 110.523 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -71.07 -11.83 61.17 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.668 0.747 . . . . 0.0 109.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -108.58 6.06 25.62 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.716 -0.615 . . . . 0.0 109.573 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mm -84.49 -21.65 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 110.722 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.29 106.42 0.27 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 118.943 -1.598 . . . . 0.0 110.617 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -128.52 -36.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 O-C-N 121.399 -1.059 . . . . 0.0 110.029 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -49.3 -43.97 34.67 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 1.5 pttm -67.16 -10.57 51.71 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.759 -0.848 . . . . 0.0 109.671 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 5.3 t80 -73.27 -55.19 6.76 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.028 0.918 . . . . 0.0 109.622 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.5 mm? -75.78 -8.69 57.47 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.356 0.598 . . . . 0.0 110.026 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -63.33 -12.75 32.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.358 -0.839 . . . . 0.0 109.791 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 t -76.82 -29.13 55.81 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.805 0.812 . . . . 0.0 109.391 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -13.7 13.42 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.329 0.585 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 11.1 ttpp -70.88 -16.3 62.68 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.284 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -78.89 -8.17 58.61 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.521 0.677 . . . . 0.0 109.183 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 24.1 m-85 -122.48 9.27 9.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.588 -0.695 . . . . 0.0 109.906 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 7.9 mttm . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.566 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -161.4 -165.41 1.31 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.167 -0.958 . . . . 0.0 110.513 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 7.1 pttt -61.54 -19.88 62.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.368 -0.833 . . . . 0.0 110.997 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -48.03 -29.88 3.89 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.693 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.61 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 1.4 m-85 -59.33 -27.02 65.52 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 121.718 -0.614 . . . . 0.0 110.735 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -3.02 15.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.452 -0.78 . . . . 0.0 109.95 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -147.44 35.05 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.317 -0.864 . . . . 0.0 110.075 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.61 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 38.8 mm -56.97 -57.26 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 120.78 -1.2 . . . . 0.0 108.793 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.73 -34.71 0.02 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.687 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 1.4 tp -105.3 -17.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.529 -0.983 . . . . 0.0 110.248 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -44.26 -81.55 0.03 OUTLIER Glycine 0 C--N 1.287 -2.174 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -69.79 -12.61 61.76 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.889 0.852 . . . . 0.0 109.925 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.687 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 64.9 t80 -56.63 -47.99 78.48 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.566 1.174 . . . . 0.0 109.304 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 14' ' ' LEU . 16.2 tp -63.02 -28.97 70.46 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.29 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -46.95 -44.11 19.69 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.736 0.779 . . . . 0.0 109.985 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -73.98 -27.71 61.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.639 0.733 . . . . 0.0 110.144 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.73 -19.55 64.35 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.93 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -80.92 -17.34 50.88 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.122 -0.986 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -86.77 -2.36 58.49 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.615 -0.678 . . . . 0.0 110.055 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 18.0 m-85 -128.48 107.33 9.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.243 0.544 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.96 171.25 2.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.364 -0.835 . . . . 0.0 110.48 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -72.47 -1.66 16.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -61.6 -27.37 68.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.466 -0.771 . . . . 0.0 110.456 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.629 ' HA ' HG12 ' A' ' 8' ' ' ILE . 40.5 p90 -34.69 -41.09 0.12 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.495 1.14 . . . . 0.0 110.665 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 12.3 mttt -38.16 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.009 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mptt -152.79 54.25 0.78 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.22 -0.925 . . . . 0.0 110.777 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.629 HG12 ' HA ' ' A' ' 5' ' ' PHE . 31.5 mm -56.34 -14.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.235 -0.916 . . . . 0.0 111.038 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.86 81.65 0.24 Allowed Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.229 -1.462 . . . . 0.0 110.586 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.582 ' CG2' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -165.81 -45.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -1.169 . . . . 0.0 109.765 179.326 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.582 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -60.69 -65.49 3.3 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -71.02 -9.86 58.76 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -68.74 -49.78 56.03 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.908 0.861 . . . . 0.0 109.704 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.6 tp -74.56 -28.8 61.1 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.53 0.681 . . . . 0.0 109.8 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 35.1 m170 -56.68 -22.86 37.9 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -79.19 -26.95 42.58 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.773 0.797 . . . . 0.0 109.253 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -15.7 17.01 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.503 0.668 . . . . 0.0 109.536 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.25 57.27 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -11.53 53.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 8.7 m-85 -115.65 89.49 3.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.49 -0.756 . . . . 0.0 109.97 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.388 0.613 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 40.2 p-90 -117.31 46.47 1.69 Allowed 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.223 1.011 . . . . 0.0 109.147 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.3 tptm -54.41 -10.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.778 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.3 tp -38.37 -30.03 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.208 -0.932 . . . . 0.0 110.433 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -57.31 -27.04 61.83 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.905 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 21.3 tttm -76.89 -0.76 25.38 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.635 -0.666 . . . . 0.0 109.5 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -126.36 9.39 7.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.383 -0.823 . . . . 0.0 109.91 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 8' ' ' ILE . 5.4 mm -70.87 -50.67 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.0 110.582 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.4 108.65 0.36 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -114.99 -37.16 2.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.248 -1.148 . . . . 0.0 109.846 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.23 -41.71 79.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -72.41 -3.64 25.34 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.913 -0.757 . . . . 0.0 109.324 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 28.1 t80 -73.38 -49.66 26.04 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.224 1.011 . . . . 0.0 109.539 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 14' ' ' LEU . 2.5 mm? -50.18 -21.1 1.2 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.376 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-70 -59.88 -28.18 67.33 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 108.858 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -72.41 -37.36 68.68 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.874 0.845 . . . . 0.0 109.045 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.607 0.718 . . . . 0.0 109.367 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -13.26 59.45 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.401 -0.812 . . . . 0.0 108.842 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -84.74 -12.53 53.56 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.609 0.719 . . . . 0.0 109.293 179.073 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 21.6 m-85 -123.46 56.62 1.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.508 -0.745 . . . . 0.0 110.092 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.756 -1.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.111 0.482 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -101.51 179.48 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.2 -0.938 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -67.3 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.384 -0.822 . . . . 0.0 110.887 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.35 -11.56 6.93 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.376 0.607 . . . . 0.0 110.782 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' CD1' HD11 ' A' ' 8' ' ' ILE . 1.7 m-30 -83.15 -29.94 28.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.256 -0.902 . . . . 0.0 109.623 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -7.25 20.06 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.369 0.604 . . . . 0.0 110.331 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -109.33 -0.32 19.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.894 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 5' ' ' PHE . 33.1 mt -49.7 -23.84 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.728 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.33 95.76 0.12 Allowed Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 HD12 ' H ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -113.89 -26.53 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.268 -1.136 . . . . 0.0 109.854 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.517 ' H ' HD12 ' A' ' 10' ' ' ILE . . . -45.55 -44.89 11.95 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -72.99 -18.84 61.32 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.745 -0.856 . . . . 0.0 109.57 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' ILE . 8.1 t80 -73.27 -55.01 6.99 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.881 0.848 . . . . 0.0 109.707 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.7 mm? -74.05 -12.84 60.74 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -19.17 64.1 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.49 -0.756 . . . . 0.0 109.844 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -77.78 -29.21 50.74 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.783 0.802 . . . . 0.0 109.454 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -71.27 -13.88 62.04 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.464 0.65 . . . . 0.0 109.882 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.69 -14.79 59.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' PHE . 4.3 ttpp -85.68 -6.33 59.15 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.535 0.683 . . . . 0.0 109.945 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -51.69 -168.14 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.49 -0.756 . . . . 0.0 111.968 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.331 0.586 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.852 ' HB3' HD23 ' A' ' 4' ' ' LEU . 58.2 t-105 -116.92 170.53 8.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 3.7 mttp -68.81 -0.89 5.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 111.245 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.852 HD23 ' HB3' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -55.67 -21.86 20.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.857 -1.152 . . . . 0.0 109.707 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.607 ' CD1' HD13 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -81.39 -23.39 37.66 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.679 0.752 . . . . 0.0 110.076 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -68.28 -16.64 64.03 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.823 0.82 . . . . 0.0 109.353 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -139.07 30.72 2.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.63 -0.669 . . . . 0.0 109.582 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.607 HD13 ' CD1' ' A' ' 5' ' ' PHE . 1.9 tp -64.37 -47.82 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.237 -0.915 . . . . 0.0 110.359 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.597 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -148.22 100.82 0.22 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 12.7 pt -95.46 -37.86 8.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.394 -1.062 . . . . 0.0 110.121 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' ILE . . . -53.04 -43.41 62.01 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -4.81 28.62 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.905 -0.761 . . . . 0.0 109.305 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -81.39 -52.01 7.73 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.721 0.772 . . . . 0.0 110.197 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 14' ' ' LEU . 1.7 mm? -74.52 -22.85 58.83 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.005 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -59.98 -15.56 23.26 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.489 -0.757 . . . . 0.0 109.418 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 7.8 t -75.77 -28.52 58.45 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.883 0.849 . . . . 0.0 109.482 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.03 -19.31 2.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.528 -0.733 . . . . 0.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -15.96 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.455 -0.778 . . . . 0.0 109.913 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -85.2 -3.19 58.73 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.593 -0.692 . . . . 0.0 109.666 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -123.18 -35.44 2.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.513 -0.742 . . . . 0.0 110.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.266 0 O-C-N 119.704 -1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.0 -176.1 2.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -6.54 20.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.063 -1.023 . . . . 0.0 110.462 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 4' ' ' LEU . 6.1 tp -63.62 -40.16 96.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.872 . . . . 0.0 110.176 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HA ' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -63.32 -26.85 68.95 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.689 0.757 . . . . 0.0 109.518 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 1.3 tmtt? -76.7 -0.63 24.33 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.563 0.697 . . . . 0.0 109.754 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -6.41 13.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.915 . . . . 0.0 109.653 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD13 ' HA ' ' A' ' 5' ' ' PHE . 1.1 mp -71.72 -58.44 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.403 -0.81 . . . . 0.0 109.308 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 8' ' ' ILE . . . -165.4 -42.36 0.02 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 5' ' ' PHE . 3.1 pt -49.92 -31.49 7.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.417 -1.049 . . . . 0.0 110.686 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -43.61 -41.55 5.56 Favored Glycine 0 C--N 1.286 -2.242 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 44.2 pttt -67.92 -28.43 67.49 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.727 -0.866 . . . . 0.0 109.961 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -63.39 -49.98 71.69 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 122.076 0.941 . . . . 0.0 109.901 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 tp -71.49 -12.54 61.44 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.676 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.63 -19.61 50.37 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.885 . . . . 0.0 108.966 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -75.07 -28.77 60.48 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.072 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' CD2' ' A' ' 20' ' ' PHE . . . -72.62 -22.51 60.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.553 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 2.2 mtpp -68.02 -28.12 67.13 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.096 0.95 . . . . 0.0 109.123 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 20' ' ' PHE . 2.2 mttt -87.3 16.38 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -45.01 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.085 0.469 . . . . 0.0 111.844 -179.41 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.207 0.527 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 3.1 t-105 -146.45 -168.26 2.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 110.042 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.8 mtmt -67.64 -7.14 24.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 110.356 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.4 tp -51.19 -34.05 30.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.252 -0.905 . . . . 0.0 109.363 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.68 -21.45 30.17 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.677 0.751 . . . . 0.0 109.676 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 27.7 mmtt -70.14 -19.23 63.23 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.553 0.692 . . . . 0.0 109.964 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -128.59 21.69 6.0 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.609 -0.682 . . . . 0.0 109.77 179.627 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -18.99 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.56 -0.712 . . . . 0.0 109.685 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 13' ' ' PHE . . . -76.54 56.46 3.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.605 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 2.9 tp -162.97 -43.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.258 -1.142 . . . . 0.0 110.078 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.578 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -56.07 -71.2 0.77 Allowed Glycine 0 C--N 1.285 -2.253 0 N-CA-C 108.491 -1.844 . . . . 0.0 108.491 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -80.41 -6.66 58.41 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.798 -0.825 . . . . 0.0 109.577 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.35 -32.33 73.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 14' ' ' LEU . 1.1 tp -79.12 -12.82 60.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.603 0.716 . . . . 0.0 109.567 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -30.72 71.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -77.9 -30.5 50.73 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.998 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -21.5 1.83 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 109.523 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -20.63 63.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.651 0.739 . . . . 0.0 109.5 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -86.05 -19.18 30.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.642 -0.661 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 26.0 m-85 -112.71 29.82 7.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.303 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.208 0.528 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' CD2' ' N ' ' A' ' 2' ' ' TRP . 15.4 p90 -135.69 40.79 2.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.194 -0.941 . . . . 0.0 110.473 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 1.1 mmtm -64.38 -52.29 59.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.705 0.764 . . . . 0.0 110.653 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -62.01 -20.19 63.65 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.539 0.685 . . . . 0.0 110.723 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.86 -18.74 61.41 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.651 0.738 . . . . 0.0 110.62 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.57 ' O ' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.52 -7.29 4.37 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.669 -0.644 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -121.12 -8.77 9.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 1.1 mp -85.34 -20.96 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.205 -0.934 . . . . 0.0 110.091 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.98 68.57 0.27 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.654 -1.26 . . . . 0.0 110.179 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.627 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 5.2 tp -144.87 -41.05 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.119 -1.224 . . . . 0.0 110.008 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -51.92 -45.7 55.78 Favored Glycine 0 C--N 1.286 -2.197 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -82.24 -2.3 52.04 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.775 -0.838 . . . . 0.0 110.103 179.524 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.627 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -82.43 -31.35 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 109.826 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -77.64 -4.25 45.09 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.619 -0.676 . . . . 0.0 110.759 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.2 m-70 -65.63 -28.81 69.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -79.64 -30.42 41.31 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.489 0.662 . . . . 0.0 109.806 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.55 -0.719 . . . . 0.0 110.209 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -79.87 -18.97 49.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.665 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 22.2 ttpt -85.31 0.22 52.7 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.641 0.734 . . . . 0.0 110.213 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CG ' ' N ' ' A' ' 21' ' ' NH2 0.252 43.9 p90 -43.04 -35.18 1.19 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.48 -0.762 . . . . 0.0 110.456 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.511 ' N ' ' CG ' ' A' ' 20' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.0 mttm . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.519 0.676 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.534 ' CE3' ' HG2' ' A' ' 3' ' ' LYS . 4.8 t90 -165.88 -170.11 1.68 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.457 -0.777 . . . . 0.0 109.464 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HG2' ' CE3' ' A' ' 2' ' ' TRP . 4.3 ptpt -52.97 -19.47 2.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.035 -1.04 . . . . 0.0 109.745 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.957 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 tp -40.3 -26.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.484 -0.76 . . . . 0.0 110.439 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 3' ' ' LYS . 5.7 m-85 -51.14 -39.59 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.401 -0.812 . . . . 0.0 110.459 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' O ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.81 -7.49 45.66 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.407 -0.808 . . . . 0.0 109.477 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -112.32 4.58 17.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.45 -0.781 . . . . 0.0 109.948 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 4' ' ' LEU . 24.1 mm -77.57 -69.39 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.144 -0.972 . . . . 0.0 109.739 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.55 85.62 0.1 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.866 HD11 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -117.47 -33.85 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.963 -1.316 . . . . 0.0 110.145 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -43.6 45.11 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -9.74 56.45 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.916 -0.755 . . . . 0.0 109.496 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -75.05 -55.12 6.06 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.95 0.881 . . . . 0.0 109.673 179.469 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.9 mm? -74.85 -8.35 56.18 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.43 0.633 . . . . 0.0 110.087 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -19.69 65.92 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.421 -0.8 . . . . 0.0 109.717 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 25.7 t -75.53 -31.57 60.14 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.619 0.723 . . . . 0.0 109.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 -13.77 59.72 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.595 -0.69 . . . . 0.0 109.437 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -79.87 -17.96 51.89 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.666 0.746 . . . . 0.0 109.633 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -85.69 -12.08 52.14 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.619 0.723 . . . . 0.0 109.855 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' A' ' 16' ' ' SER . 51.1 m-85 -118.62 -5.59 10.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.789 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.277 0.561 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 5.6 m0 -92.51 -163.82 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.267 -0.895 . . . . 0.0 110.453 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -9.89 7.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.634 -0.666 . . . . 0.0 110.722 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 4' ' ' LEU . 9.1 tp -56.2 -30.81 62.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.336 -0.853 . . . . 0.0 111.135 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.35 -20.78 46.95 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.327 -0.858 . . . . 0.0 110.821 -179.092 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.38 -10.23 6.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.567 -0.708 . . . . 0.0 110.82 -179.564 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 6.0 ptpp? -122.22 16.84 10.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.155 -0.965 . . . . 0.0 109.773 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 5.0 mm -85.56 -16.77 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 110.932 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.11 64.79 0.26 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.824 -1.311 . . . . 0.0 109.824 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 1.5 pt -129.46 -35.52 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.166 -1.196 . . . . 0.0 110.871 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.43 -44.79 16.33 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 9.8 pttt -78.35 -9.52 59.3 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 121.641 -0.917 . . . . 0.0 109.95 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.0 t80 -62.91 -37.36 86.66 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.937 0.875 . . . . 0.0 109.019 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.4 tp -76.05 -6.8 52.75 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.075 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.8 t-80 -60.52 -15.34 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.89 . . . . 0.0 109.322 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 12.4 t -76.64 -31.96 57.69 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.614 0.721 . . . . 0.0 109.727 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -15.51 19.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.611 -0.681 . . . . 0.0 109.933 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -81.27 -12.9 58.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.519 -0.738 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -85.44 -6.38 59.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.577 -0.702 . . . . 0.0 109.595 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 42.3 m-85 -118.14 80.83 1.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.499 -0.751 . . . . 0.0 110.248 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.181 0.515 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.5 t-105 -156.52 -162.71 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.182 -0.949 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 7.5 mtmt -44.45 -22.33 0.07 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.649 -0.657 . . . . 0.0 111.351 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.87 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.6 tp -44.87 -24.44 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.36 -0.837 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -66.6 -19.18 65.71 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.492 -0.755 . . . . 0.0 111.036 -179.479 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -57.6 -13.61 4.13 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.461 -0.774 . . . . 0.0 110.522 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -119.43 18.34 12.87 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.204 -0.935 . . . . 0.0 110.187 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.511 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 3.2 mm -75.26 -40.16 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 110.563 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.3 -38.05 0.02 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.15 -1.5 . . . . 0.0 110.714 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.3 pp -61.93 -41.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 120.923 -1.34 . . . . 0.0 110.964 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -44.69 50.98 Favored Glycine 0 C--N 1.285 -2.283 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.62 -18.7 62.19 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.829 0.824 . . . . 0.0 109.053 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 78.7 t80 -79.53 -61.42 2.01 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.153 0.978 . . . . 0.0 109.623 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 14' ' ' LEU . 14.4 tp -61.34 -13.25 17.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.336 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -29.48 57.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.809 . . . . 0.0 109.632 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 23.0 t -75.46 -27.6 58.94 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.949 0.88 . . . . 0.0 109.305 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -65.73 -22.46 66.6 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.381 0.61 . . . . 0.0 110.227 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.91 -14.62 61.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.492 -0.755 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.7 -21.99 28.04 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.783 0.801 . . . . 0.0 109.971 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 16' ' ' SER . 11.5 m-85 -106.32 -65.14 1.1 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.756 -0.59 . . . . 0.0 110.039 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.773 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 mttm . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.13 0.491 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -172.42 -154.3 0.08 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.246 -0.909 . . . . 0.0 110.601 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -37.17 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.588 0.709 . . . . 0.0 111.308 -179.359 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 2' ' ' TRP . 59.9 tp -39.97 -59.13 1.27 Allowed 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.517 -0.739 . . . . 0.0 112.006 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' HA ' HG12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -79.99 -21.32 43.79 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.379 -0.825 . . . . 0.0 112.03 -178.447 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -67.31 -4.65 11.34 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.285 -0.885 . . . . 0.0 110.74 -179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.2 mttm -121.61 10.43 10.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.973 . . . . 0.0 110.219 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 5' ' ' PHE . 11.4 mm -70.77 -23.74 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.337 -0.852 . . . . 0.0 110.626 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -165.49 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 C-N-CA 119.617 -1.278 . . . . 0.0 110.466 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.631 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -73.68 -39.64 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.071 -1.252 . . . . 0.0 110.417 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . -45.09 -58.05 5.21 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 43.7 pttt -71.41 -13.63 61.9 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.627 -0.926 . . . . 0.0 109.672 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.631 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 15.4 t80 -72.7 -42.12 64.53 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 122.086 0.946 . . . . 0.0 109.878 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 14' ' ' LEU . 7.4 tp -68.25 -15.24 63.5 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.77 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -52.99 -22.25 5.44 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.19 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -79.14 -28.36 42.86 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.916 0.865 . . . . 0.0 109.019 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.11 -8.86 57.64 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.378 0.608 . . . . 0.0 109.794 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -26.54 63.59 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.98 0.895 . . . . 0.0 109.398 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -77.85 -8.82 58.58 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.586 0.708 . . . . 0.0 109.623 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 23.7 m-85 -120.94 18.18 11.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.511 -0.743 . . . . 0.0 109.896 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.199 0.524 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.86 -159.9 1.03 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.426 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -65.3 -4.66 5.67 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.628 -0.67 . . . . 0.0 111.932 -178.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -62.98 -19.33 64.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.888 -1.132 . . . . 0.0 109.779 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.068 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -85.74 -18.81 32.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.475 0.655 . . . . 0.0 111.226 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HD2' ' CG ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -54.11 -14.95 1.23 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 111.156 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -103.19 -10.67 18.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.183 -0.948 . . . . 0.0 110.641 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.068 HD12 ' CD1' ' A' ' 5' ' ' PHE . 20.2 mt -83.4 -6.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.75 46.84 1.06 Allowed Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 8.9 pt -58.09 -44.4 87.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.142 -1.211 . . . . 0.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 10' ' ' ILE . . . -46.54 -46.58 17.64 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -75.3 -14.02 60.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.67 -0.9 . . . . 0.0 109.572 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 5.0 t80 -71.78 -44.45 63.97 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.925 0.869 . . . . 0.0 109.93 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.554 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 tp -64.48 -18.42 64.76 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.19 0.519 . . . . 0.0 110.469 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 36.9 m170 -57.51 -34.34 68.99 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.154 -0.966 . . . . 0.0 108.396 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -76.94 -26.67 54.3 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.733 0.777 . . . . 0.0 109.387 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -50.55 -20.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.605 0.717 . . . . 0.0 110.004 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.67 -16.88 59.17 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -85.65 -17.4 36.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.347 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.21 134.82 54.8 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 110.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.235 0.541 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.663 ' CZ2' ' HB2' ' A' ' 4' ' ' LEU . 5.9 p90 -158.22 -151.44 0.29 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.17 -0.956 . . . . 0.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 15.2 mtpp -48.25 -18.19 0.19 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.906 -0.497 . . . . 0.0 111.73 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -47.71 -32.07 5.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.899 -1.125 . . . . 0.0 109.878 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.709 ' HA ' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -60.42 -25.57 66.05 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.614 -0.679 . . . . 0.0 110.414 -179.593 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -65.91 -10.0 34.68 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.199 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' HA ' HG22 ' A' ' 10' ' ' ILE . 3.7 tmtt? -80.8 -23.16 39.45 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.39 -0.819 . . . . 0.0 109.521 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 5' ' ' PHE . 2.2 mp -73.5 -20.21 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.591 -0.693 . . . . 0.0 110.023 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 23.89 31.81 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.674 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -156.06 -39.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -1.083 . . . . 0.0 109.859 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -43.42 -71.54 0.41 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -60.09 -15.68 25.35 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.6 -0.941 . . . . 0.0 109.092 178.645 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.674 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -76.88 -42.07 41.28 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.039 0.924 . . . . 0.0 109.824 179.331 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 14' ' ' LEU . 3.0 tp -67.56 -9.51 43.34 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.814 -0.554 . . . . 0.0 110.184 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.3 m80 -53.86 -43.04 69.19 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.075 0.94 . . . . 0.0 108.981 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -78.46 -28.72 46.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.749 0.785 . . . . 0.0 109.773 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -77.37 -7.37 55.98 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.733 -0.604 . . . . 0.0 109.991 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.91 -20.24 62.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.6 tptm -73.63 -8.43 55.94 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.459 0.647 . . . . 0.0 109.619 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -125.15 154.36 41.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.546 -0.721 . . . . 0.0 110.368 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.731 ' HA ' HD22 ' A' ' 4' ' ' LEU . 10.5 ttmt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.219 0.533 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.519 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 70.62 -156.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.11 -0.994 . . . . 0.0 110.861 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -39.84 -24.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.786 -0.571 . . . . 0.0 111.627 -179.375 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.005 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -41.12 -37.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.411 -0.806 . . . . 0.0 110.038 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 1.005 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -48.24 -21.51 0.51 Allowed 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.513 0.673 . . . . 0.0 110.821 -179.613 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -12.78 1.81 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.622 -0.674 . . . . 0.0 111.233 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.09 2.16 3.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 110.292 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.543 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 2.6 mm -81.73 -43.22 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.393 -0.817 . . . . 0.0 110.139 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.04 88.1 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.5 pt -112.76 -37.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.439 -1.036 . . . . 0.0 109.944 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.42 19.28 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -9.55 58.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.737 -0.861 . . . . 0.0 110.033 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 t80 -72.23 -40.89 67.44 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.928 0.87 . . . . 0.0 109.199 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.3 tp -79.72 -16.22 56.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.539 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -60.23 -20.18 57.72 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.583 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 27.6 t -77.7 -30.67 51.95 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.916 0.865 . . . . 0.0 108.949 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.0 65.17 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.61 0.719 . . . . 0.0 109.173 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 4.7 pttp -81.23 -24.22 37.54 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.622 0.725 . . . . 0.0 109.481 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 7.1 mttt -71.51 -13.89 61.94 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.703 0.763 . . . . 0.0 109.284 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.62 68.17 0.7 Allowed 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.918 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.946 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.301 0.572 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 60.5 p-90 -134.81 39.53 2.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.919 0.866 . . . . 0.0 110.0 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -0.67 19.52 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 121.813 -0.554 . . . . 0.0 110.346 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -67.56 -11.07 57.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.914 . . . . 0.0 109.93 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -85.31 -23.7 27.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.811 0.815 . . . . 0.0 110.409 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -17.89 2.44 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.35 0.595 . . . . 0.0 111.235 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -104.49 -26.62 12.32 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.2 mm -85.85 -17.44 9.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.648 -0.657 . . . . 0.0 110.257 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.27 61.23 0.33 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.596 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 11.1 tp -148.86 -43.59 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -1.159 . . . . 0.0 109.431 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.571 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -50.29 -73.7 0.35 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 4.5 ttpt -66.44 -11.14 50.34 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.859 0.838 . . . . 0.0 109.197 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -70.17 -34.99 73.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.345 -0.847 . . . . 0.0 110.376 179.715 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.7 tp -65.97 -25.69 67.22 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -54.55 -22.41 13.08 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 30.1 t -79.17 -32.07 44.14 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -18.32 40.29 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.21 -19.94 63.13 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.876 0.846 . . . . 0.0 108.941 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' SER . 3.1 mtmm -85.17 -6.11 59.3 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.482 0.658 . . . . 0.0 109.46 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -129.73 141.26 50.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.953 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.88 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.46 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.418 0.628 . . . . 0.0 109.879 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -147.57 34.97 0.86 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.922 0.868 . . . . 0.0 110.004 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.0 tttt -69.66 -7.0 35.22 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.403 0.62 . . . . 0.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -70.57 -19.09 62.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.301 -0.875 . . . . 0.0 109.956 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.645 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -85.28 -22.14 28.72 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.614 0.721 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -44.92 -44.92 10.1 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.548 0.69 . . . . 0.0 110.216 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -29.97 68.34 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.887 0.851 . . . . 0.0 109.325 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' PHE . 36.3 mm -85.52 -5.36 9.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.496 0.665 . . . . 0.0 109.74 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' C ' ' HB2' ' A' ' 13' ' ' PHE . . . -77.97 3.48 61.08 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.834 HG23 ' H ' ' A' ' 11' ' ' GLY . 1.2 tp -146.43 -71.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.151 -1.205 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.834 ' H ' HG23 ' A' ' 10' ' ' ILE . . . -43.52 -69.67 0.64 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.28 -2.06 26.42 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.628 -0.925 . . . . 0.0 109.71 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' HB2' ' N ' ' A' ' 10' ' ' ILE . 11.3 t80 -85.34 -47.11 10.33 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.165 0.983 . . . . 0.0 110.229 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -66.01 -5.81 10.77 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.604 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -33.03 72.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.073 -1.017 . . . . 0.0 109.245 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -77.39 -27.29 52.44 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.706 0.765 . . . . 0.0 109.685 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 -14.94 60.6 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -15.82 56.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.855 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -13.38 50.51 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.717 0.77 . . . . 0.0 109.706 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -112.46 -126.67 0.28 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.711 -0.618 . . . . 0.0 109.843 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.639 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.384 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 50.6 mttt -70.76 -6.16 35.53 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.817 -0.813 . . . . 0.0 109.135 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -72.38 -49.14 36.22 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.077 0.941 . . . . 0.0 109.677 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 14' ' ' LEU . 5.5 tp -61.61 -13.74 24.59 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.321 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.78 -30.14 68.67 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.373 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 t -78.07 -25.99 47.96 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.802 0.81 . . . . 0.0 109.618 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -55.24 -16.19 3.06 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.343 0.592 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -75.62 -31.71 60.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 109.474 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 9.3 m-85 . . . . . 0 C--N 1.301 -1.506 0 O-C-N 121.496 -0.752 . . . . 0.0 110.03 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.439 0 N-CA-C 108.446 -1.861 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 8.3 ttpp -68.67 -18.24 64.24 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.691 0.757 . . . . 0.0 109.265 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.4 -46.66 75.84 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.754 0.788 . . . . 0.0 109.998 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.2 tp -77.65 -11.88 59.91 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.103 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -57.29 -19.84 24.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 109.037 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 34.8 t -74.11 -30.25 62.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.869 0.843 . . . . 0.0 109.292 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -25.4 37.88 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.455 0.645 . . . . 0.0 110.058 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.723 0.773 . . . . 0.0 109.436 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' SER . 6.0 ttpp -72.08 -17.77 61.97 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.791 0.805 . . . . 0.0 109.626 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 . . . . . 0 C--N 1.296 -1.737 0 O-C-N 121.811 -0.555 . . . . 0.0 110.072 -179.719 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . . . . . . 0 N--CA 1.488 2.147 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 1.5 pttm -67.16 -10.57 51.71 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.759 -0.848 . . . . 0.0 109.671 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -73.27 -55.19 6.76 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.028 0.918 . . . . 0.0 109.622 179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.5 mm? -75.78 -8.69 57.47 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.356 0.598 . . . . 0.0 110.026 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -63.33 -12.75 32.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.358 -0.839 . . . . 0.0 109.791 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 t -76.82 -29.13 55.81 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.805 0.812 . . . . 0.0 109.391 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -13.7 13.42 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.329 0.585 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 11.1 ttpp -70.88 -16.3 62.68 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.284 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -78.89 -8.17 58.61 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.521 0.677 . . . . 0.0 109.183 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 24.1 m-85 . . . . . 0 N--CA 1.488 1.468 0 O-C-N 121.588 -0.695 . . . . 0.0 109.906 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.027 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -69.79 -12.61 61.76 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.889 0.852 . . . . 0.0 109.925 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -56.63 -47.99 78.48 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.566 1.174 . . . . 0.0 109.304 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 14' ' ' LEU . 16.2 tp -63.02 -28.97 70.46 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.29 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -46.95 -44.11 19.69 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.736 0.779 . . . . 0.0 109.985 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -73.98 -27.71 61.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.639 0.733 . . . . 0.0 110.144 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.73 -19.55 64.35 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.93 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -80.92 -17.34 50.88 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.122 -0.986 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -86.77 -2.36 58.49 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.615 -0.678 . . . . 0.0 110.055 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 18.0 m-85 . . . . . 0 N--CA 1.49 1.53 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.189 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -71.02 -9.86 58.76 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -68.74 -49.78 56.03 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.908 0.861 . . . . 0.0 109.704 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.6 tp -74.56 -28.8 61.1 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.53 0.681 . . . . 0.0 109.8 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.68 -22.86 37.9 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -79.19 -26.95 42.58 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.773 0.797 . . . . 0.0 109.253 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -15.7 17.01 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.503 0.668 . . . . 0.0 109.536 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.25 57.27 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -11.53 53.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 8.7 m-85 . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.49 -0.756 . . . . 0.0 109.97 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.351 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -72.41 -3.64 25.34 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.913 -0.757 . . . . 0.0 109.324 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -73.38 -49.66 26.04 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.224 1.011 . . . . 0.0 109.539 179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 14' ' ' LEU . 2.5 mm? -50.18 -21.1 1.2 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.376 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-70 -59.88 -28.18 67.33 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 108.858 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -72.41 -37.36 68.68 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.874 0.845 . . . . 0.0 109.045 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.607 0.718 . . . . 0.0 109.367 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -13.26 59.45 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.401 -0.812 . . . . 0.0 108.842 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -84.74 -12.53 53.56 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.609 0.719 . . . . 0.0 109.293 179.073 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 21.6 m-85 . . . . . 0 N--CA 1.492 1.67 0 O-C-N 121.508 -0.745 . . . . 0.0 110.092 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -72.99 -18.84 61.32 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.745 -0.856 . . . . 0.0 109.57 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -73.27 -55.01 6.99 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.881 0.848 . . . . 0.0 109.707 179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.7 mm? -74.05 -12.84 60.74 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -19.17 64.1 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.49 -0.756 . . . . 0.0 109.844 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -77.78 -29.21 50.74 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.783 0.802 . . . . 0.0 109.454 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -71.27 -13.88 62.04 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.464 0.65 . . . . 0.0 109.882 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.69 -14.79 59.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' PHE . 4.3 ttpp -85.68 -6.33 59.15 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.535 0.683 . . . . 0.0 109.945 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.3 -1.579 0 O-C-N 121.49 -0.756 . . . . 0.0 111.968 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.264 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -4.81 28.62 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.905 -0.761 . . . . 0.0 109.305 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.39 -52.01 7.73 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.721 0.772 . . . . 0.0 110.197 179.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 14' ' ' LEU . 1.7 mm? -74.52 -22.85 58.83 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.005 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -59.98 -15.56 23.26 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.489 -0.757 . . . . 0.0 109.418 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 7.8 t -75.77 -28.52 58.45 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.883 0.849 . . . . 0.0 109.482 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.03 -19.31 2.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.528 -0.733 . . . . 0.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -15.96 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.455 -0.778 . . . . 0.0 109.913 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -85.2 -3.19 58.73 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.593 -0.692 . . . . 0.0 109.666 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 . . . . . 0 N--CA 1.491 1.58 0 O-C-N 121.513 -0.742 . . . . 0.0 110.158 -179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.241 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 44.2 pttt -67.92 -28.43 67.49 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.727 -0.866 . . . . 0.0 109.961 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.39 -49.98 71.69 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 122.076 0.941 . . . . 0.0 109.901 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 tp -71.49 -12.54 61.44 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.676 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.63 -19.61 50.37 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.885 . . . . 0.0 108.966 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -75.07 -28.77 60.48 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.072 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' CD2' ' A' ' 20' ' ' PHE . . . -72.62 -22.51 60.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.553 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 2.2 mtpp -68.02 -28.12 67.13 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.096 0.95 . . . . 0.0 109.123 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 20' ' ' PHE . 2.2 mttt -87.3 16.38 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.303 -1.422 0 CA-C-O 121.085 0.469 . . . . 0.0 111.844 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.105 0 N-CA-C 108.491 -1.844 . . . . 0.0 108.491 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -80.41 -6.66 58.41 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.798 -0.825 . . . . 0.0 109.577 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -67.35 -32.33 73.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 14' ' ' LEU . 1.1 tp -79.12 -12.82 60.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.603 0.716 . . . . 0.0 109.567 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -30.72 71.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -77.9 -30.5 50.73 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.998 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -21.5 1.83 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 109.523 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -20.63 63.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.651 0.739 . . . . 0.0 109.5 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -86.05 -19.18 30.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.642 -0.661 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 26.0 m-85 . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.303 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -82.24 -2.3 52.04 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.775 -0.838 . . . . 0.0 110.103 179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -82.43 -31.35 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 109.826 179.596 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -77.64 -4.25 45.09 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.619 -0.676 . . . . 0.0 110.759 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.2 m-70 -65.63 -28.81 69.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -79.64 -30.42 41.31 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.489 0.662 . . . . 0.0 109.806 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.55 -0.719 . . . . 0.0 110.209 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -79.87 -18.97 49.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.665 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 22.2 ttpt -85.31 0.22 52.7 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.641 0.734 . . . . 0.0 110.213 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 19' ' ' LYS 0.252 43.9 p90 . . . . . 0 C--N 1.294 -1.834 0 O-C-N 121.48 -0.762 . . . . 0.0 110.456 -179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -9.74 56.45 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.916 -0.755 . . . . 0.0 109.496 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.05 -55.12 6.06 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.95 0.881 . . . . 0.0 109.673 179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.9 mm? -74.85 -8.35 56.18 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.43 0.633 . . . . 0.0 110.087 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -19.69 65.92 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.421 -0.8 . . . . 0.0 109.717 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 25.7 t -75.53 -31.57 60.14 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.619 0.723 . . . . 0.0 109.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 -13.77 59.72 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.595 -0.69 . . . . 0.0 109.437 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -79.87 -17.96 51.89 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.666 0.746 . . . . 0.0 109.633 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -85.69 -12.08 52.14 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.619 0.723 . . . . 0.0 109.855 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' A' ' 16' ' ' SER . 51.1 m-85 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 110.341 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 9.8 pttt -78.35 -9.52 59.3 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 121.641 -0.917 . . . . 0.0 109.95 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.91 -37.36 86.66 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.937 0.875 . . . . 0.0 109.019 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.4 tp -76.05 -6.8 52.75 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.075 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.8 t-80 -60.52 -15.34 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.89 . . . . 0.0 109.322 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 12.4 t -76.64 -31.96 57.69 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.614 0.721 . . . . 0.0 109.727 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -15.51 19.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.611 -0.681 . . . . 0.0 109.933 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -81.27 -12.9 58.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.519 -0.738 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -85.44 -6.38 59.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.577 -0.702 . . . . 0.0 109.595 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 42.3 m-85 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.499 -0.751 . . . . 0.0 110.248 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.069 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.62 -18.7 62.19 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.829 0.824 . . . . 0.0 109.053 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 78.7 t80 -79.53 -61.42 2.01 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.153 0.978 . . . . 0.0 109.623 179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 14' ' ' LEU . 14.4 tp -61.34 -13.25 17.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.336 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -29.48 57.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.809 . . . . 0.0 109.632 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 23.0 t -75.46 -27.6 58.94 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.949 0.88 . . . . 0.0 109.305 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -65.73 -22.46 66.6 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.381 0.61 . . . . 0.0 110.227 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.91 -14.62 61.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.492 -0.755 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.7 -21.99 28.04 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.783 0.801 . . . . 0.0 109.971 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 16' ' ' SER . 11.5 m-85 . . . . . 0 C--N 1.297 -1.694 0 O-C-N 121.756 -0.59 . . . . 0.0 110.039 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.424 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 43.7 pttt -71.41 -13.63 61.9 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.627 -0.926 . . . . 0.0 109.672 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -72.7 -42.12 64.53 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 122.086 0.946 . . . . 0.0 109.878 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 14' ' ' LEU . 7.4 tp -68.25 -15.24 63.5 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.77 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -52.99 -22.25 5.44 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.19 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -79.14 -28.36 42.86 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.916 0.865 . . . . 0.0 109.019 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.11 -8.86 57.64 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.378 0.608 . . . . 0.0 109.794 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -26.54 63.59 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.98 0.895 . . . . 0.0 109.398 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -77.85 -8.82 58.58 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.586 0.708 . . . . 0.0 109.623 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 23.7 m-85 . . . . . 0 C--N 1.302 -1.474 0 O-C-N 121.511 -0.743 . . . . 0.0 109.896 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.374 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.3 -14.02 60.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.67 -0.9 . . . . 0.0 109.572 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -71.78 -44.45 63.97 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.925 0.869 . . . . 0.0 109.93 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.554 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 tp -64.48 -18.42 64.76 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.19 0.519 . . . . 0.0 110.469 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.613 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.6 m-70 -57.51 -34.34 68.99 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.154 -0.966 . . . . 0.0 108.396 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -76.94 -26.67 54.3 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.733 0.777 . . . . 0.0 109.387 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -50.55 -20.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.605 0.717 . . . . 0.0 110.004 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.67 -16.88 59.17 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -85.65 -17.4 36.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.347 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 . . . . . 0 C--N 1.298 -1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 110.136 179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -60.09 -15.68 25.35 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.6 -0.941 . . . . 0.0 109.092 178.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -76.88 -42.07 41.28 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.039 0.924 . . . . 0.0 109.824 179.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 14' ' ' LEU . 3.0 tp -67.56 -9.51 43.34 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.814 -0.554 . . . . 0.0 110.184 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.5 m-70 -53.86 -43.04 69.19 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.075 0.94 . . . . 0.0 108.981 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -78.46 -28.72 46.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.749 0.785 . . . . 0.0 109.773 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -77.37 -7.37 55.98 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.733 -0.604 . . . . 0.0 109.991 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.91 -20.24 62.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.6 tptm -73.63 -8.43 55.94 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.459 0.647 . . . . 0.0 109.619 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 . . . . . 0 C--N 1.301 -1.529 0 O-C-N 121.546 -0.721 . . . . 0.0 110.368 -179.595 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -9.55 58.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.737 -0.861 . . . . 0.0 110.033 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -72.23 -40.89 67.44 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.928 0.87 . . . . 0.0 109.199 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.3 tp -79.72 -16.22 56.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.539 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -60.23 -20.18 57.72 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 27.6 t -77.7 -30.67 51.95 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.916 0.865 . . . . 0.0 108.949 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.0 65.17 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.61 0.719 . . . . 0.0 109.173 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 4.7 pttp -81.23 -24.22 37.54 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.622 0.725 . . . . 0.0 109.481 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 7.1 mttt -71.51 -13.89 61.94 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.703 0.763 . . . . 0.0 109.284 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 . . . . . 0 C--N 1.299 -1.605 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.918 179.696 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 4.5 ttpt -66.44 -11.14 50.34 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.859 0.838 . . . . 0.0 109.197 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -34.99 73.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.345 -0.847 . . . . 0.0 110.376 179.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.7 tp -65.97 -25.69 67.22 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 4.6 m-70 -54.55 -22.41 13.08 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 30.1 t -79.17 -32.07 44.14 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -18.32 40.29 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.21 -19.94 63.13 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.876 0.846 . . . . 0.0 108.941 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' SER . 3.1 mtmm -85.17 -6.11 59.3 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.482 0.658 . . . . 0.0 109.46 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.953 179.734 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.28 -2.06 26.42 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.628 -0.925 . . . . 0.0 109.71 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -85.34 -47.11 10.33 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.165 0.983 . . . . 0.0 110.229 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -66.01 -5.81 10.77 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.604 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -33.03 72.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.073 -1.017 . . . . 0.0 109.245 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -77.39 -27.29 52.44 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.706 0.765 . . . . 0.0 109.685 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 -14.94 60.6 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -15.82 56.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.855 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -13.38 50.51 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.717 0.77 . . . . 0.0 109.706 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 . . . . . 0 C--N 1.298 -1.631 0 O-C-N 121.711 -0.618 . . . . 0.0 109.843 179.517 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mttp . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 121.283 0.564 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 15.1 t-105 -139.61 -175.88 4.36 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.254 -0.904 . . . . 0.0 110.543 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.8 mtmt -75.93 -2.84 32.28 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.298 -0.876 . . . . 0.0 110.039 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 4' ' ' LEU . 3.6 tp -72.51 -24.94 61.23 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.407 -0.808 . . . . 0.0 109.681 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.575 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 6.2 m-85 -61.8 -30.94 71.15 Favored 'General case' 0 C--N 1.294 -1.835 0 CA-C-O 121.671 0.748 . . . . 0.0 110.001 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.39 -0.23 24.96 Favored 'General case' 0 C--N 1.294 -1.825 0 CA-C-O 121.38 0.609 . . . . 0.0 110.049 179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.568 ' HA ' HG22 ' A' ' 10' ' ' ILE . 0.3 OUTLIER -131.5 6.57 4.44 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.25 -0.906 . . . . 0.0 109.898 179.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.575 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 13.0 mm -52.75 -28.43 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 121.351 -0.843 . . . . 0.0 109.791 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.05 49.84 0.28 Allowed Glycine 0 N--CA 1.488 2.163 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.637 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -125.18 -39.7 1.07 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.32 -1.106 . . . . 0.0 109.879 -179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -54.39 -66.44 2.79 Favored Glycine 0 N--CA 1.492 2.384 0 N-CA-C 108.809 -1.716 . . . . 0.0 108.809 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.51 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 50.6 mttt -70.76 -6.16 35.53 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.817 -0.813 . . . . 0.0 109.135 178.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.637 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -72.38 -49.14 36.22 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.077 0.941 . . . . 0.0 109.677 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD12 ' HA ' ' A' ' 14' ' ' LEU . 5.5 tp -61.61 -13.74 24.59 Favored 'General case' 0 C--N 1.292 -1.893 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.321 -179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.78 -30.14 68.67 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.252 -0.905 . . . . 0.0 109.373 179.67 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.9 t -78.07 -25.99 47.96 Favored 'General case' 0 C--N 1.296 -1.719 0 CA-C-O 121.802 0.81 . . . . 0.0 109.618 179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -55.24 -16.19 3.06 Favored 'General case' 0 C--N 1.296 -1.723 0 CA-C-O 121.343 0.592 . . . . 0.0 110.264 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 33.2 tttt -75.62 -31.71 60.0 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.294 -0.879 . . . . 0.0 110.909 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.7 OUTLIER -72.9 -12.59 61.02 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.377 -0.827 . . . . 0.0 109.474 179.473 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.486 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 9.3 m-85 -113.9 80.92 1.44 Allowed 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.496 -0.752 . . . . 0.0 110.03 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.554 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 120.944 0.402 . . . . 0.0 110.13 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.554 ' CD1' ' C ' ' A' ' 1' ' ' LYS . 62.3 p-90 34.15 35.86 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.97 0 CA-C-O 121.843 0.83 . . . . 0.0 110.828 -179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' N ' ' O ' ' A' ' 1' ' ' LYS . 1.2 mtmt -72.34 -25.62 61.62 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.685 0.755 . . . . 0.0 109.964 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.079 ' O ' HD13 ' A' ' 8' ' ' ILE . 3.9 pp -77.37 -11.66 59.86 Favored 'General case' 0 C--N 1.295 -1.775 0 CA-C-O 121.495 0.664 . . . . 0.0 110.364 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -84.69 -16.61 41.19 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-O 121.667 0.746 . . . . 0.0 110.7 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -58.14 -8.7 1.15 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.71 -0.619 . . . . 0.0 111.601 -179.406 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.86 30.23 0.1 Allowed 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.755 -1.216 . . . . 0.0 110.836 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.079 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.9 OUTLIER -86.05 -53.54 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 120.938 -1.101 . . . . 0.0 111.039 -179.852 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.588 ' N ' HG22 ' A' ' 8' ' ' ILE . . . -121.84 -0.96 10.79 Favored Glycine 0 N--CA 1.493 2.482 0 C-N-CA 119.689 -1.243 . . . . 0.0 110.583 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.477 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.8 pt -96.57 -37.86 7.6 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.474 0 O-C-N 120.931 -1.334 . . . . 0.0 110.042 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.35 -43.43 51.66 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.446 -1.861 . . . . 0.0 108.446 178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 8.3 ttpp -68.67 -18.24 64.24 Favored 'General case' 0 C--N 1.294 -1.839 0 CA-C-O 121.691 0.757 . . . . 0.0 109.265 179.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.477 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.1 OUTLIER -66.4 -46.66 75.84 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.754 0.788 . . . . 0.0 109.998 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.2 tp -77.65 -11.88 59.91 Favored 'General case' 0 C--N 1.292 -1.928 0 C-N-CA 119.795 -0.762 . . . . 0.0 110.103 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -57.29 -19.84 24.58 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.235 -0.916 . . . . 0.0 109.037 179.079 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 19' ' ' LYS . 34.8 t -74.11 -30.25 62.24 Favored 'General case' 0 C--N 1.299 -1.6 0 CA-C-O 121.869 0.843 . . . . 0.0 109.292 179.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.57 -25.4 37.88 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 121.455 0.645 . . . . 0.0 110.058 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -76.59 -18.31 58.71 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.723 0.773 . . . . 0.0 109.436 179.611 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HB3' ' O ' ' A' ' 16' ' ' SER . 6.0 ttpp -72.08 -17.77 61.97 Favored 'General case' 0 C--N 1.301 -1.527 0 CA-C-O 121.791 0.805 . . . . 0.0 109.626 179.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -106.47 -33.53 7.68 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.811 -0.555 . . . . 0.0 110.072 -179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.435 0 O-C-N 119.95 -1.719 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.421 ' CG ' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.425 0.631 . . . . 0.0 110.219 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.453 ' HA ' HD21 ' A' ' 4' ' ' LEU . 39.6 p-90 -133.07 43.86 2.9 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.273 -0.892 . . . . 0.0 109.71 179.482 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 tttm -68.61 -19.72 64.46 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.667 0.746 . . . . 0.0 109.779 179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -54.76 -19.98 7.48 Favored 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.494 0.664 . . . . 0.0 110.076 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -79.79 -30.64 40.68 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.526 -0.734 . . . . 0.0 110.523 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -71.07 -11.83 61.17 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-O 121.668 0.747 . . . . 0.0 109.316 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -108.58 6.06 25.62 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.716 -0.615 . . . . 0.0 109.573 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.8 mm -84.49 -21.65 8.15 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.572 0 O-C-N 121.303 -0.873 . . . . 0.0 110.722 -179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.29 106.42 0.27 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 118.943 -1.598 . . . . 0.0 110.617 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.0 OUTLIER -128.52 -36.13 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 O-C-N 121.399 -1.059 . . . . 0.0 110.029 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.505 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -49.3 -43.97 34.67 Favored Glycine 0 N--CA 1.488 2.147 0 N-CA-C 108.908 -1.677 . . . . 0.0 108.908 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 1.5 pttm -67.16 -10.57 51.71 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.759 -0.848 . . . . 0.0 109.671 179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.551 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 5.3 t80 -73.27 -55.19 6.76 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 122.028 0.918 . . . . 0.0 109.622 179.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.443 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.5 mm? -75.78 -8.69 57.47 Favored 'General case' 0 C--N 1.29 -1.982 0 CA-C-O 121.356 0.598 . . . . 0.0 110.026 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.551 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -63.33 -12.75 32.23 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.358 -0.839 . . . . 0.0 109.791 179.709 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.4 t -76.82 -29.13 55.81 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 121.805 0.812 . . . . 0.0 109.391 179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -13.7 13.42 Favored 'General case' 0 C--N 1.299 -1.621 0 CA-C-O 121.329 0.585 . . . . 0.0 110.255 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 11.1 ttpp -70.88 -16.3 62.68 Favored 'General case' 0 C--N 1.299 -1.587 0 O-C-N 121.355 -0.841 . . . . 0.0 109.284 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -78.89 -8.17 58.61 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-O 121.521 0.677 . . . . 0.0 109.183 179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 24.1 m-85 -122.48 9.27 9.65 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.588 -0.695 . . . . 0.0 109.906 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.468 ' HB2' ' CE1' ' A' ' 5' ' ' PHE . 7.9 mttm . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.247 0.546 . . . . 0.0 110.057 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.566 ' HA ' ' CE3' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -161.4 -165.41 1.31 Allowed 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.167 -0.958 . . . . 0.0 110.513 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 7.1 pttt -61.54 -19.88 62.62 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 121.368 -0.833 . . . . 0.0 110.997 -179.334 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.407 ' N ' ' HG3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -48.03 -29.88 3.89 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.424 -0.798 . . . . 0.0 109.594 -179.693 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.61 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 1.4 m-85 -59.33 -27.02 65.52 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 121.718 -0.614 . . . . 0.0 110.735 -179.073 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 -3.02 15.61 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.452 -0.78 . . . . 0.0 109.95 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.495 ' O ' ' HE2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -147.44 35.05 0.87 Allowed 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.317 -0.864 . . . . 0.0 110.075 179.739 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.61 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 38.8 mm -56.97 -57.26 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 O-C-N 120.78 -1.2 . . . . 0.0 108.793 179.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.73 -34.71 0.02 OUTLIER Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.272 -1.531 . . . . 0.0 109.272 179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.687 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 1.4 tp -105.3 -17.47 7.47 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.471 0 O-C-N 121.529 -0.983 . . . . 0.0 110.248 -179.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -44.26 -81.55 0.03 OUTLIER Glycine 0 C--N 1.287 -2.174 0 N-CA-C 109.889 -1.285 . . . . 0.0 109.889 -179.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -69.79 -12.61 61.76 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.889 0.852 . . . . 0.0 109.925 -179.906 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.687 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 64.9 t80 -56.63 -47.99 78.48 Favored 'General case' 0 C--N 1.296 -1.72 0 CA-C-O 122.566 1.174 . . . . 0.0 109.304 178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' HA ' HD12 ' A' ' 14' ' ' LEU . 16.2 tp -63.02 -28.97 70.46 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.29 -179.203 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.541 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -46.95 -44.11 19.69 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.736 0.779 . . . . 0.0 109.985 -179.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -73.98 -27.71 61.12 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-O 121.639 0.733 . . . . 0.0 110.144 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.73 -19.55 64.35 Favored 'General case' 0 C--N 1.295 -1.769 0 C-N-CA 120.122 -0.631 . . . . 0.0 110.93 -179.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -80.92 -17.34 50.88 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.122 -0.986 . . . . 0.0 109.959 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' O ' ' CD1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -86.77 -2.36 58.49 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 121.615 -0.678 . . . . 0.0 110.055 179.863 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.413 ' CD1' ' O ' ' A' ' 19' ' ' LYS . 18.0 m-85 -128.48 107.33 9.64 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.457 -0.777 . . . . 0.0 110.185 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.34 0 O-C-N 119.895 -1.753 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.243 0.544 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.96 171.25 2.27 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.364 -0.835 . . . . 0.0 110.48 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.611 ' HA ' ' CD2' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -72.47 -1.66 16.63 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.268 -0.895 . . . . 0.0 110.139 179.689 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.872 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -61.6 -27.37 68.6 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.466 -0.771 . . . . 0.0 110.456 -179.875 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.629 ' HA ' HG12 ' A' ' 8' ' ' ILE . 40.5 p90 -34.69 -41.09 0.12 Allowed 'General case' 0 C--N 1.296 -1.732 0 CA-C-O 122.495 1.14 . . . . 0.0 110.665 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' N ' ' CG ' ' A' ' 5' ' ' PHE . 12.3 mttt -38.16 -26.64 0.01 OUTLIER 'General case' 0 C--N 1.279 -2.488 0 CA-C-N 114.832 -1.076 . . . . 0.0 111.009 179.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.533 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . 1.1 mptt -152.79 54.25 0.78 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.22 -0.925 . . . . 0.0 110.777 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.629 HG12 ' HA ' ' A' ' 5' ' ' PHE . 31.5 mm -56.34 -14.28 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.235 -0.916 . . . . 0.0 111.038 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.86 81.65 0.24 Allowed Glycine 0 N--CA 1.492 2.428 0 C-N-CA 119.229 -1.462 . . . . 0.0 110.586 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.582 ' CG2' ' N ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -165.81 -45.5 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.213 -1.169 . . . . 0.0 109.765 179.326 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.582 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -60.69 -65.49 3.3 Favored Glycine 0 N--CA 1.489 2.189 0 N-CA-C 107.798 -2.121 . . . . 0.0 107.798 178.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.4 mtmt -71.02 -9.86 58.76 Favored 'General case' 0 C--N 1.293 -1.89 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.579 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -68.74 -49.78 56.03 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-O 121.908 0.861 . . . . 0.0 109.704 179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 ' HA ' HD12 ' A' ' 14' ' ' LEU . 8.6 tp -74.56 -28.8 61.1 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.53 0.681 . . . . 0.0 109.8 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -56.68 -22.86 37.9 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.6 t -79.19 -26.95 42.58 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.773 0.797 . . . . 0.0 109.253 179.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.25 -15.7 17.01 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.503 0.668 . . . . 0.0 109.536 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -17.25 57.27 Favored 'General case' 0 C--N 1.3 -1.567 0 CA-C-O 121.627 0.727 . . . . 0.0 109.503 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.52 ' HG2' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -85.66 -11.53 53.57 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.655 -0.653 . . . . 0.0 110.144 179.771 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' CE1' ' HG2' ' A' ' 19' ' ' LYS . 8.7 m-85 -115.65 89.49 3.12 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.49 -0.756 . . . . 0.0 109.97 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.384 0 O-C-N 119.843 -1.786 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.388 0.613 . . . . 0.0 110.244 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 40.2 p-90 -117.31 46.47 1.69 Allowed 'General case' 0 N--CA 1.491 1.587 0 CA-C-O 122.223 1.011 . . . . 0.0 109.147 179.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 5' ' ' PHE . 6.3 tptm -54.41 -10.06 0.36 Allowed 'General case' 0 C--N 1.297 -1.709 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.778 -179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.833 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.3 tp -38.37 -30.03 0.04 OUTLIER 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.208 -0.932 . . . . 0.0 110.433 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.48 ' N ' ' O ' ' A' ' 3' ' ' LYS . 1.0 OUTLIER -57.31 -27.04 61.83 Favored 'General case' 0 C--N 1.295 -1.763 0 CA-C-O 121.612 0.72 . . . . 0.0 109.905 -179.933 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' O ' ' CG ' ' A' ' 6' ' ' LYS . 21.3 tttm -76.89 -0.76 25.38 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 121.635 -0.666 . . . . 0.0 109.5 179.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.8 mtmt -126.36 9.39 7.24 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.383 -0.823 . . . . 0.0 109.91 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' HA ' HD13 ' A' ' 8' ' ' ILE . 5.4 mm -70.87 -50.67 41.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 121.254 -0.904 . . . . 0.0 110.582 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -161.4 108.65 0.36 Allowed Glycine 0 N--CA 1.492 2.386 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.222 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.758 ' N ' HD13 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -114.99 -37.16 2.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 O-C-N 121.248 -1.148 . . . . 0.0 109.846 179.396 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.23 -41.71 79.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 108.338 -1.905 . . . . 0.0 108.338 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 0.2 OUTLIER -72.41 -3.64 25.34 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 121.913 -0.757 . . . . 0.0 109.324 178.733 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.56 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 28.1 t80 -73.38 -49.66 26.04 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-O 122.224 1.011 . . . . 0.0 109.539 179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' HA ' HD13 ' A' ' 14' ' ' LEU . 2.5 mm? -50.18 -21.1 1.2 Allowed 'General case' 0 C--N 1.291 -1.965 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.376 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 2.0 m-70 -59.88 -28.18 67.33 Favored 'General case' 0 C--N 1.297 -1.69 0 O-C-N 121.208 -0.932 . . . . 0.0 108.858 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.1 t -72.41 -37.36 68.68 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.874 0.845 . . . . 0.0 109.045 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.57 -12.97 58.58 Favored 'General case' 0 C--N 1.297 -1.707 0 CA-C-O 121.607 0.718 . . . . 0.0 109.367 179.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.04 -13.26 59.45 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.401 -0.812 . . . . 0.0 108.842 178.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.528 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -84.74 -12.53 53.56 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-O 121.609 0.719 . . . . 0.0 109.293 179.073 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.528 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 21.6 m-85 -123.46 56.62 1.19 Allowed 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.508 -0.745 . . . . 0.0 110.092 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.31 0 O-C-N 119.756 -1.84 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.111 0.482 . . . . 0.0 110.108 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 13.7 t-105 -101.51 179.48 4.34 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.2 -0.938 . . . . 0.0 110.526 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -60.75 -67.3 0.41 Allowed 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.384 -0.822 . . . . 0.0 110.887 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.35 -11.56 6.93 Favored 'General case' 0 C--N 1.296 -1.734 0 CA-C-O 121.376 0.607 . . . . 0.0 110.782 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.404 ' CD1' HD11 ' A' ' 8' ' ' ILE . 1.7 m-30 -83.15 -29.94 28.24 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.256 -0.902 . . . . 0.0 109.623 179.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -7.25 20.06 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.369 0.604 . . . . 0.0 110.331 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.1 tttt -109.33 -0.32 19.14 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.246 -0.909 . . . . 0.0 109.894 179.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.404 HD11 ' CD1' ' A' ' 5' ' ' PHE . 33.1 mt -49.7 -23.84 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.353 -0.842 . . . . 0.0 109.728 179.618 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -165.33 95.76 0.12 Allowed Glycine 0 N--CA 1.489 2.217 0 N-CA-C 109.323 -1.511 . . . . 0.0 109.323 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 HD12 ' H ' ' A' ' 11' ' ' GLY . 0.6 OUTLIER -113.89 -26.53 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.268 -1.136 . . . . 0.0 109.854 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.517 ' H ' HD12 ' A' ' 10' ' ' ILE . . . -45.55 -44.89 11.95 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.302 -1.519 . . . . 0.0 109.302 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.6 tptm -72.99 -18.84 61.32 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 121.745 -0.856 . . . . 0.0 109.57 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 10' ' ' ILE . 8.1 t80 -73.27 -55.01 6.99 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.881 0.848 . . . . 0.0 109.707 179.462 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.7 mm? -74.05 -12.84 60.74 Favored 'General case' 0 C--N 1.291 -1.963 0 CA-C-O 121.5 0.667 . . . . 0.0 110.019 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -19.17 64.1 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.49 -0.756 . . . . 0.0 109.844 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -77.78 -29.21 50.74 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.783 0.802 . . . . 0.0 109.454 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.517 ' O ' ' CG ' ' A' ' 20' ' ' PHE . . . -71.27 -13.88 62.04 Favored 'General case' 0 C--N 1.297 -1.689 0 CA-C-O 121.464 0.65 . . . . 0.0 109.882 179.403 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.1 tptt -77.69 -14.79 59.52 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.398 -0.814 . . . . 0.0 109.68 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.46 ' O ' ' O ' ' A' ' 20' ' ' PHE . 4.3 ttpp -85.68 -6.33 59.15 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.535 0.683 . . . . 0.0 109.945 179.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.633 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 0.0 OUTLIER -51.69 -168.14 0.0 OUTLIER 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.49 -0.756 . . . . 0.0 111.968 -179.603 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.35 0 O-C-N 119.901 -1.749 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.331 0.586 . . . . 0.0 110.133 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.852 ' HB3' HD23 ' A' ' 4' ' ' LEU . 58.2 t-105 -116.92 170.53 8.55 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.288 -0.883 . . . . 0.0 109.944 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 3.7 mttp -68.81 -0.89 5.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.258 -0.901 . . . . 0.0 111.245 -179.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.852 HD23 ' HB3' ' A' ' 2' ' ' TRP . 0.4 OUTLIER -55.67 -21.86 20.27 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.857 -1.152 . . . . 0.0 109.707 179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.607 ' CD1' HD13 ' A' ' 8' ' ' ILE . 0.5 OUTLIER -81.39 -23.39 37.66 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.679 0.752 . . . . 0.0 110.076 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' O ' ' HD2' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -68.28 -16.64 64.03 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.823 0.82 . . . . 0.0 109.353 179.217 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.441 ' HD2' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -139.07 30.72 2.21 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.63 -0.669 . . . . 0.0 109.582 179.686 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.607 HD13 ' CD1' ' A' ' 5' ' ' PHE . 1.9 tp -64.37 -47.82 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.237 -0.915 . . . . 0.0 110.359 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.597 ' N ' ' CG2' ' A' ' 8' ' ' ILE . . . -148.22 100.82 0.22 Allowed Glycine 0 N--CA 1.49 2.283 0 N-CA-C 109.94 -1.264 . . . . 0.0 109.94 -179.492 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.517 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 12.7 pt -95.46 -37.86 8.06 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.354 0 O-C-N 121.394 -1.062 . . . . 0.0 110.121 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.429 ' N ' HG13 ' A' ' 10' ' ' ILE . . . -53.04 -43.41 62.01 Favored Glycine 0 N--CA 1.49 2.264 0 N-CA-C 108.792 -1.723 . . . . 0.0 108.792 179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.46 -4.81 28.62 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.905 -0.761 . . . . 0.0 109.305 179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.517 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.4 OUTLIER -81.39 -52.01 7.73 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 121.721 0.772 . . . . 0.0 110.197 179.751 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD13 ' A' ' 14' ' ' LEU . 1.7 mm? -74.52 -22.85 58.83 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.993 -0.683 . . . . 0.0 110.005 -179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -59.98 -15.56 23.26 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.489 -0.757 . . . . 0.0 109.418 179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.478 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 7.8 t -75.77 -28.52 58.45 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.883 0.849 . . . . 0.0 109.482 179.377 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.03 -19.31 2.61 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.528 -0.733 . . . . 0.0 109.886 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.35 -15.96 58.18 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.455 -0.778 . . . . 0.0 109.913 179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 16' ' ' SER . 0.1 OUTLIER -85.2 -3.19 58.73 Favored 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.593 -0.692 . . . . 0.0 109.666 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -123.18 -35.44 2.98 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.513 -0.742 . . . . 0.0 110.158 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.266 0 O-C-N 119.704 -1.873 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.271 0.558 . . . . 0.0 110.223 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -109.0 -176.1 2.95 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.23 -0.919 . . . . 0.0 110.014 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.52 -6.54 20.25 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.063 -1.023 . . . . 0.0 110.462 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.496 ' O ' HD12 ' A' ' 4' ' ' LEU . 6.1 tp -63.62 -40.16 96.21 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.304 -0.872 . . . . 0.0 110.176 179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.567 ' HA ' HD13 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -63.32 -26.85 68.95 Favored 'General case' 0 C--N 1.293 -1.851 0 CA-C-O 121.689 0.757 . . . . 0.0 109.518 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' A' ' 6' ' ' LYS . 1.3 tmtt? -76.7 -0.63 24.33 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.563 0.697 . . . . 0.0 109.754 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.9 -6.41 13.79 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.235 -0.915 . . . . 0.0 109.653 179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.567 HD13 ' HA ' ' A' ' 5' ' ' PHE . 1.1 mp -71.72 -58.44 5.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.403 -0.81 . . . . 0.0 109.308 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.54 ' N ' HG22 ' A' ' 8' ' ' ILE . . . -165.4 -42.36 0.02 OUTLIER Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.634 -1.386 . . . . 0.0 109.634 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 5' ' ' PHE . 3.1 pt -49.92 -31.49 7.12 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 O-C-N 121.417 -1.049 . . . . 0.0 110.686 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -43.61 -41.55 5.56 Favored Glycine 0 C--N 1.286 -2.242 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 -179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 9' ' ' GLY . 44.2 pttt -67.92 -28.43 67.49 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.727 -0.866 . . . . 0.0 109.961 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.487 ' N ' ' O ' ' A' ' 10' ' ' ILE . 0.7 OUTLIER -63.39 -49.98 71.69 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 122.076 0.941 . . . . 0.0 109.901 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.508 ' HA ' HD12 ' A' ' 14' ' ' LEU . 6.5 tp -71.49 -12.54 61.44 Favored 'General case' 0 C--N 1.291 -1.959 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.676 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -59.63 -19.61 50.37 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.283 -0.885 . . . . 0.0 108.966 179.331 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 t -75.07 -28.77 60.48 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 121.809 0.814 . . . . 0.0 109.072 179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.616 ' O ' ' CD2' ' A' ' 20' ' ' PHE . . . -72.62 -22.51 60.95 Favored 'General case' 0 C--N 1.297 -1.697 0 C-N-CA 120.008 -0.677 . . . . 0.0 109.553 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.573 ' O ' ' CE1' ' A' ' 20' ' ' PHE . 2.2 mtpp -68.02 -28.12 67.13 Favored 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 122.096 0.95 . . . . 0.0 109.123 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' O ' ' O ' ' A' ' 20' ' ' PHE . 2.2 mttt -87.3 16.38 5.35 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.616 ' CD2' ' O ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -45.01 -179.22 0.0 OUTLIER 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.085 0.469 . . . . 0.0 111.844 -179.41 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.816 -1.803 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.207 0.527 . . . . 0.0 110.125 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.476 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 3.1 t-105 -146.45 -168.26 2.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.252 -0.905 . . . . 0.0 110.042 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 18.8 mtmt -67.64 -7.14 24.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.405 -0.81 . . . . 0.0 110.356 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.62 ' O ' HD12 ' A' ' 4' ' ' LEU . 5.4 tp -51.19 -34.05 30.01 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.252 -0.905 . . . . 0.0 109.363 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.68 -21.45 30.17 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-O 121.677 0.751 . . . . 0.0 109.676 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.412 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 27.7 mmtt -70.14 -19.23 63.23 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.553 0.692 . . . . 0.0 109.964 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' O ' HG22 ' A' ' 10' ' ' ILE . 0.7 OUTLIER -128.59 21.69 6.0 Favored 'General case' 0 C--N 1.299 -1.63 0 O-C-N 121.609 -0.682 . . . . 0.0 109.77 179.627 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -53.01 -18.99 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.56 -0.712 . . . . 0.0 109.685 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' HA2' ' CD1' ' A' ' 13' ' ' PHE . . . -76.54 56.46 3.36 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.099 -1.601 . . . . 0.0 109.099 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.605 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 2.9 tp -162.97 -43.14 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.43 0 O-C-N 121.258 -1.142 . . . . 0.0 110.078 -179.295 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.578 ' N ' HG23 ' A' ' 10' ' ' ILE . . . -56.07 -71.2 0.77 Allowed Glycine 0 C--N 1.285 -2.253 0 N-CA-C 108.491 -1.844 . . . . 0.0 108.491 179.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -80.41 -6.66 58.41 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.798 -0.825 . . . . 0.0 109.577 179.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.605 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.2 OUTLIER -67.35 -32.33 73.2 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.497 ' HA ' HD12 ' A' ' 14' ' ' LEU . 1.1 tp -79.12 -12.82 60.0 Favored 'General case' 0 C--N 1.297 -1.68 0 CA-C-O 121.603 0.716 . . . . 0.0 109.567 179.105 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.37 -30.72 71.8 Favored 'General case' 0 C--N 1.298 -1.665 0 N-CA-C 107.946 -1.131 . . . . 0.0 107.946 178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 t -77.9 -30.5 50.73 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.998 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.02 -21.5 1.83 Allowed 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.467 -0.771 . . . . 0.0 109.523 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -20.63 63.1 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 121.651 0.739 . . . . 0.0 109.5 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -86.05 -19.18 30.66 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.642 -0.661 . . . . 0.0 110.476 179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 26.0 m-85 -112.71 29.82 7.64 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.348 -0.845 . . . . 0.0 110.303 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.935 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.208 0.528 . . . . 0.0 110.158 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' CD2' ' N ' ' A' ' 2' ' ' TRP . 15.4 p90 -135.69 40.79 2.75 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.194 -0.941 . . . . 0.0 110.473 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 1.1 mmtm -64.38 -52.29 59.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-O 121.705 0.764 . . . . 0.0 110.653 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.552 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -62.01 -20.19 63.65 Favored 'General case' 0 C--N 1.294 -1.841 0 CA-C-O 121.539 0.685 . . . . 0.0 110.723 -179.607 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -72.86 -18.74 61.41 Favored 'General case' 0 C--N 1.294 -1.838 0 CA-C-O 121.651 0.738 . . . . 0.0 110.62 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.57 ' O ' HG21 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -62.52 -7.29 4.37 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 121.669 -0.644 . . . . 0.0 110.939 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtpt -121.12 -8.77 9.25 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.024 -1.048 . . . . 0.0 110.58 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.495 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 1.1 mp -85.34 -20.96 7.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.205 -0.934 . . . . 0.0 110.091 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -157.98 68.57 0.27 Allowed Glycine 0 N--CA 1.492 2.403 0 C-N-CA 119.654 -1.26 . . . . 0.0 110.179 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.627 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 5.2 tp -144.87 -41.05 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.119 -1.224 . . . . 0.0 110.008 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.537 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -51.92 -45.7 55.78 Favored Glycine 0 C--N 1.286 -2.197 0 N-CA-C 109.02 -1.632 . . . . 0.0 109.02 179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -82.24 -2.3 52.04 Favored 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.775 -0.838 . . . . 0.0 110.103 179.524 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.627 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -82.43 -31.35 29.56 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.361 -0.837 . . . . 0.0 109.826 179.596 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.45 ' HA ' HD12 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -77.64 -4.25 45.09 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.619 -0.676 . . . . 0.0 110.759 -179.222 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.2 m-70 -65.63 -28.81 69.38 Favored 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 108.115 -1.068 . . . . 0.0 108.115 178.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.7 t -79.64 -30.42 41.31 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.489 0.662 . . . . 0.0 109.806 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.66 -0.27 14.94 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.55 -0.719 . . . . 0.0 110.209 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.4 ttpt -79.87 -18.97 49.38 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.25 -0.906 . . . . 0.0 109.665 179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.459 ' O ' ' CG ' ' A' ' 19' ' ' LYS . 22.2 ttpt -85.31 0.22 52.7 Favored 'General case' 0 C--N 1.298 -1.648 0 CA-C-O 121.641 0.734 . . . . 0.0 110.213 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' CG ' ' N ' ' A' ' 21' ' ' NH2 0.252 43.9 p90 -43.04 -35.18 1.19 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 121.48 -0.762 . . . . 0.0 110.456 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.511 ' N ' ' CG ' ' A' ' 20' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 62.0 mttm . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.519 0.676 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.534 ' CE3' ' HG2' ' A' ' 3' ' ' LYS . 4.8 t90 -165.88 -170.11 1.68 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.457 -0.777 . . . . 0.0 109.464 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HG2' ' CE3' ' A' ' 2' ' ' TRP . 4.3 ptpt -52.97 -19.47 2.65 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.035 -1.04 . . . . 0.0 109.745 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.957 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.1 tp -40.3 -26.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.484 -0.76 . . . . 0.0 110.439 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.49 ' N ' ' O ' ' A' ' 3' ' ' LYS . 5.7 m-85 -51.14 -39.59 56.64 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.401 -0.812 . . . . 0.0 110.459 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.866 ' O ' HD11 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -70.81 -7.49 45.66 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.407 -0.808 . . . . 0.0 109.477 179.355 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -112.32 4.58 17.76 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.45 -0.781 . . . . 0.0 109.948 179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.439 HG12 ' O ' ' A' ' 4' ' ' LEU . 24.1 mm -77.57 -69.39 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.383 0 O-C-N 121.144 -0.972 . . . . 0.0 109.739 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.55 85.62 0.1 OUTLIER Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.818 -1.313 . . . . 0.0 109.818 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.866 HD11 ' O ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -117.47 -33.85 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.387 0 O-C-N 120.963 -1.316 . . . . 0.0 110.145 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -50.49 -43.6 45.11 Favored Glycine 0 N--CA 1.489 2.219 0 N-CA-C 108.829 -1.708 . . . . 0.0 108.829 179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.08 -9.74 56.45 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.916 -0.755 . . . . 0.0 109.496 179.304 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.533 ' CB ' ' O ' ' A' ' 10' ' ' ILE . 0.9 OUTLIER -75.05 -55.12 6.06 Favored 'General case' 0 C--N 1.302 -1.457 0 CA-C-O 121.95 0.881 . . . . 0.0 109.673 179.469 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 14' ' ' LEU . 3.9 mm? -74.85 -8.35 56.18 Favored 'General case' 0 C--N 1.292 -1.905 0 CA-C-O 121.43 0.633 . . . . 0.0 110.087 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -19.69 65.92 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.421 -0.8 . . . . 0.0 109.717 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.505 ' O ' ' CD2' ' A' ' 20' ' ' PHE . 25.7 t -75.53 -31.57 60.14 Favored 'General case' 0 N--CA 1.491 1.585 0 CA-C-O 121.619 0.723 . . . . 0.0 109.911 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.19 -13.77 59.72 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.595 -0.69 . . . . 0.0 109.437 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -79.87 -17.96 51.89 Favored 'General case' 0 C--N 1.301 -1.541 0 CA-C-O 121.666 0.746 . . . . 0.0 109.633 179.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmmt -85.69 -12.08 52.14 Favored 'General case' 0 C--N 1.299 -1.594 0 CA-C-O 121.619 0.723 . . . . 0.0 109.855 179.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' CD2' ' O ' ' A' ' 16' ' ' SER . 51.1 m-85 -118.62 -5.59 10.71 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.474 -0.766 . . . . 0.0 110.341 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.789 -1.82 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 121.277 0.561 . . . . 0.0 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.509 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 5.6 m0 -92.51 -163.82 1.1 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.267 -0.895 . . . . 0.0 110.453 -179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -9.89 7.05 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.634 -0.666 . . . . 0.0 110.722 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 4' ' ' LEU . 9.1 tp -56.2 -30.81 62.8 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.336 -0.853 . . . . 0.0 111.135 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.437 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.35 -20.78 46.95 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.327 -0.858 . . . . 0.0 110.821 -179.092 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -61.38 -10.23 6.94 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.567 -0.708 . . . . 0.0 110.82 -179.564 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.514 ' O ' ' CD1' ' A' ' 10' ' ' ILE . 6.0 ptpp? -122.22 16.84 10.7 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.155 -0.965 . . . . 0.0 109.773 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.437 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 5.0 mm -85.56 -16.77 9.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.391 -0.818 . . . . 0.0 110.932 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.11 64.79 0.26 Allowed Glycine 0 N--CA 1.494 2.527 0 N-CA-C 109.824 -1.311 . . . . 0.0 109.824 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' A' ' 7' ' ' LYS . 1.5 pt -129.46 -35.52 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 O-C-N 121.166 -1.196 . . . . 0.0 110.871 -179.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -46.43 -44.79 16.33 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 110.084 -1.207 . . . . 0.0 110.084 -179.489 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 9.8 pttt -78.35 -9.52 59.3 Favored 'General case' 0 C--N 1.292 -1.917 0 O-C-N 121.641 -0.917 . . . . 0.0 109.95 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.49 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.0 t80 -62.91 -37.36 86.66 Favored 'General case' 0 C--N 1.3 -1.559 0 CA-C-O 121.937 0.875 . . . . 0.0 109.019 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 14' ' ' LEU . 5.4 tp -76.05 -6.8 52.75 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.963 -0.695 . . . . 0.0 110.075 179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 1.8 t-80 -60.52 -15.34 26.33 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.275 -0.89 . . . . 0.0 109.322 179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 12.4 t -76.64 -31.96 57.69 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.614 0.721 . . . . 0.0 109.727 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.66 -15.51 19.82 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.611 -0.681 . . . . 0.0 109.933 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -81.27 -12.9 58.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.519 -0.738 . . . . 0.0 110.01 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.48 ' HB2' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -85.44 -6.38 59.21 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.577 -0.702 . . . . 0.0 109.595 179.479 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' CD1' ' N ' ' A' ' 20' ' ' PHE . 42.3 m-85 -118.14 80.83 1.58 Allowed 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.499 -0.751 . . . . 0.0 110.248 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.786 -1.821 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.6 mmtt . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 121.181 0.515 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.433 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 1.5 t-105 -156.52 -162.71 1.3 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.182 -0.949 . . . . 0.0 110.652 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.51 ' HB3' ' NZ ' ' A' ' 6' ' ' LYS . 7.5 mtmt -44.45 -22.33 0.07 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.649 -0.657 . . . . 0.0 111.351 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.87 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.6 tp -44.87 -24.44 0.21 Allowed 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.36 -0.837 . . . . 0.0 110.893 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.511 ' HA ' ' CG1' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -66.6 -19.18 65.71 Favored 'General case' 0 C--N 1.294 -1.825 0 O-C-N 121.492 -0.755 . . . . 0.0 111.036 -179.479 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.51 ' NZ ' ' HB3' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -57.6 -13.61 4.13 Favored 'General case' 0 C--N 1.295 -1.782 0 O-C-N 121.461 -0.774 . . . . 0.0 110.522 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -119.43 18.34 12.87 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.204 -0.935 . . . . 0.0 110.187 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.511 ' CG1' ' HA ' ' A' ' 5' ' ' PHE . 3.2 mm -75.26 -40.16 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.158 -0.964 . . . . 0.0 110.563 -179.472 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.3 -38.05 0.02 OUTLIER Glycine 0 N--CA 1.49 2.26 0 C-N-CA 119.15 -1.5 . . . . 0.0 110.714 -179.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.532 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 1.3 pp -61.93 -41.69 91.85 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.355 0 O-C-N 120.923 -1.34 . . . . 0.0 110.964 -179.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -44.69 50.98 Favored Glycine 0 C--N 1.285 -2.283 0 N-CA-C 108.576 -1.81 . . . . 0.0 108.576 179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.62 -18.7 62.19 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-O 121.829 0.824 . . . . 0.0 109.053 179.168 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.532 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 78.7 t80 -79.53 -61.42 2.01 Favored 'General case' 0 C--N 1.299 -1.588 0 CA-C-O 122.153 0.978 . . . . 0.0 109.623 179.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.486 ' HA ' HD12 ' A' ' 14' ' ' LEU . 14.4 tp -61.34 -13.25 17.99 Favored 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.336 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -55.08 -29.48 57.66 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.405 -0.809 . . . . 0.0 109.632 179.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 20' ' ' PHE . 23.0 t -75.46 -27.6 58.94 Favored 'General case' 0 C--N 1.297 -1.699 0 CA-C-O 121.949 0.88 . . . . 0.0 109.305 179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -65.73 -22.46 66.6 Favored 'General case' 0 C--N 1.296 -1.75 0 CA-C-O 121.381 0.61 . . . . 0.0 110.227 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -73.91 -14.62 61.09 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.492 -0.755 . . . . 0.0 109.65 179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -85.7 -21.99 28.04 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-O 121.783 0.801 . . . . 0.0 109.971 179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' CE2' ' O ' ' A' ' 16' ' ' SER . 11.5 m-85 -106.32 -65.14 1.1 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.756 -0.59 . . . . 0.0 110.039 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.3 0 O-C-N 119.773 -1.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.4 mttm . . . . . 0 N--CA 1.495 1.803 0 CA-C-O 121.13 0.491 . . . . 0.0 110.165 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.509 ' O ' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -172.42 -154.3 0.08 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.246 -0.909 . . . . 0.0 110.601 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.474 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.3 OUTLIER -37.17 -28.95 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.895 0 CA-C-O 121.588 0.709 . . . . 0.0 111.308 -179.359 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 2' ' ' TRP . 59.9 tp -39.97 -59.13 1.27 Allowed 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.517 -0.739 . . . . 0.0 112.006 -178.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.444 ' HA ' HG12 ' A' ' 8' ' ' ILE . 0.4 OUTLIER -79.99 -21.32 43.79 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.379 -0.825 . . . . 0.0 112.03 -178.447 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -67.31 -4.65 11.34 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.285 -0.885 . . . . 0.0 110.74 -179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.491 ' HA ' ' HA3' ' A' ' 11' ' ' GLY . 7.2 mttm -121.61 10.43 10.38 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.144 -0.973 . . . . 0.0 110.219 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.444 HG12 ' HA ' ' A' ' 5' ' ' PHE . 11.4 mm -70.77 -23.74 24.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.337 -0.852 . . . . 0.0 110.626 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -165.49 -46.22 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 C-N-CA 119.617 -1.278 . . . . 0.0 110.466 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.631 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 0.7 OUTLIER -73.68 -39.64 53.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 121.071 -1.252 . . . . 0.0 110.417 -179.5 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.491 ' HA3' ' HA ' ' A' ' 7' ' ' LYS . . . -45.09 -58.05 5.21 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.21 -1.556 . . . . 0.0 109.21 179.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 15' ' ' HIS . 43.7 pttt -71.41 -13.63 61.9 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 121.627 -0.926 . . . . 0.0 109.672 179.301 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.631 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 15.4 t80 -72.7 -42.12 64.53 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 122.086 0.946 . . . . 0.0 109.878 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' HA ' HD12 ' A' ' 14' ' ' LEU . 7.4 tp -68.25 -15.24 63.5 Favored 'General case' 0 C--N 1.291 -1.967 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.77 -179.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.498 ' HB2' ' O ' ' A' ' 12' ' ' LYS . 0.2 OUTLIER -52.99 -22.25 5.44 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.201 -0.937 . . . . 0.0 109.19 179.622 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.0 t -79.14 -28.36 42.86 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.916 0.865 . . . . 0.0 109.019 178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.11 -8.86 57.64 Favored 'General case' 0 C--N 1.295 -1.781 0 CA-C-O 121.378 0.608 . . . . 0.0 109.794 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.56 -26.54 63.59 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-O 121.98 0.895 . . . . 0.0 109.398 179.293 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.569 ' HG3' ' CE1' ' A' ' 20' ' ' PHE . 0.1 OUTLIER -77.85 -8.82 58.58 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.586 0.708 . . . . 0.0 109.623 179.609 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.569 ' CE1' ' HG3' ' A' ' 19' ' ' LYS . 23.7 m-85 -120.94 18.18 11.75 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.511 -0.743 . . . . 0.0 109.896 179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.29 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.7 pttt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.199 0.524 . . . . 0.0 110.097 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.524 ' CE3' ' HA ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -153.86 -159.9 1.03 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.241 -0.912 . . . . 0.0 110.426 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.475 ' CG ' ' HD2' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -65.3 -4.66 5.67 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.628 -0.67 . . . . 0.0 111.932 -178.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.582 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.2 OUTLIER -62.98 -19.33 64.21 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.888 -1.132 . . . . 0.0 109.779 -179.877 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.068 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.3 OUTLIER -85.74 -18.81 32.0 Favored 'General case' 0 C--N 1.295 -1.801 0 CA-C-O 121.475 0.655 . . . . 0.0 111.226 -179.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.475 ' HD2' ' CG ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -54.11 -14.95 1.23 Allowed 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.513 -0.742 . . . . 0.0 111.156 -179.21 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -103.19 -10.67 18.6 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.183 -0.948 . . . . 0.0 110.641 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.068 HD12 ' CD1' ' A' ' 5' ' ' PHE . 20.2 mt -83.4 -6.66 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.239 -0.913 . . . . 0.0 110.144 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.75 46.84 1.06 Allowed Glycine 0 N--CA 1.488 2.134 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.534 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 8.9 pt -58.09 -44.4 87.27 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.329 0 O-C-N 121.142 -1.211 . . . . 0.0 110.195 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.464 ' N ' HG13 ' A' ' 10' ' ' ILE . . . -46.54 -46.58 17.64 Favored Glycine 0 N--CA 1.492 2.374 0 N-CA-C 109.503 -1.439 . . . . 0.0 109.503 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.613 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -75.3 -14.02 60.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.67 -0.9 . . . . 0.0 109.572 179.498 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.534 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 5.0 t80 -71.78 -44.45 63.97 Favored 'General case' 0 C--N 1.297 -1.696 0 CA-C-O 121.925 0.869 . . . . 0.0 109.93 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.554 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 tp -64.48 -18.42 64.76 Favored 'General case' 0 C--N 1.292 -1.917 0 CA-C-O 121.19 0.519 . . . . 0.0 110.469 -179.577 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.613 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 3.6 m-70 -57.51 -34.34 68.99 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.154 -0.966 . . . . 0.0 108.396 178.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.2 t -76.94 -26.67 54.3 Favored 'General case' 0 C--N 1.296 -1.746 0 CA-C-O 121.733 0.777 . . . . 0.0 109.387 178.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -50.55 -20.98 1.33 Allowed 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.605 0.717 . . . . 0.0 110.004 179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.401 ' O ' ' HD2' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -62.67 -16.88 59.17 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.542 -0.724 . . . . 0.0 110.296 -179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.491 ' HG3' ' O ' ' A' ' 19' ' ' LYS . 0.3 OUTLIER -85.65 -17.4 36.2 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.426 -0.796 . . . . 0.0 110.347 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -115.21 134.82 54.8 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.427 -0.795 . . . . 0.0 110.136 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.316 0 O-C-N 119.806 -1.809 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 CA-C-O 121.235 0.541 . . . . 0.0 110.042 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.663 ' CZ2' ' HB2' ' A' ' 4' ' ' LEU . 5.9 p90 -158.22 -151.44 0.29 Allowed 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.17 -0.956 . . . . 0.0 111.095 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.515 ' N ' ' CD1' ' A' ' 2' ' ' TRP . 15.2 mtpp -48.25 -18.19 0.19 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.906 -0.497 . . . . 0.0 111.73 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.975 HD12 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -47.71 -32.07 5.4 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.899 -1.125 . . . . 0.0 109.878 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.709 ' HA ' HD13 ' A' ' 8' ' ' ILE . 0.7 OUTLIER -60.42 -25.57 66.05 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.614 -0.679 . . . . 0.0 110.414 -179.593 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -65.91 -10.0 34.68 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.634 -0.826 . . . . 0.0 109.199 179.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' HA ' HG22 ' A' ' 10' ' ' ILE . 3.7 tmtt? -80.8 -23.16 39.45 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.39 -0.819 . . . . 0.0 109.521 179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.709 HD13 ' HA ' ' A' ' 5' ' ' PHE . 2.2 mp -73.5 -20.21 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.591 -0.693 . . . . 0.0 110.023 179.644 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.32 23.89 31.81 Favored Glycine 0 N--CA 1.492 2.401 0 N-CA-C 109.406 -1.478 . . . . 0.0 109.406 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.674 ' HA ' ' CB ' ' A' ' 13' ' ' PHE . 0.9 OUTLIER -156.06 -39.86 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 O-C-N 121.358 -1.083 . . . . 0.0 109.859 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.531 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -43.42 -71.54 0.41 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 108.787 -1.725 . . . . 0.0 108.787 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HA ' ' CD2' ' A' ' 15' ' ' HIS . 0.1 OUTLIER -60.09 -15.68 25.35 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 121.6 -0.941 . . . . 0.0 109.092 178.645 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.674 ' CB ' ' HA ' ' A' ' 10' ' ' ILE . 0.3 OUTLIER -76.88 -42.07 41.28 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 122.039 0.924 . . . . 0.0 109.824 179.331 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.492 ' HA ' HD12 ' A' ' 14' ' ' LEU . 3.0 tp -67.56 -9.51 43.34 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.814 -0.554 . . . . 0.0 110.184 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.563 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 1.5 m-70 -53.86 -43.04 69.19 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 122.075 0.94 . . . . 0.0 108.981 179.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.4 t -78.46 -28.72 46.59 Favored 'General case' 0 C--N 1.295 -1.776 0 CA-C-O 121.749 0.785 . . . . 0.0 109.773 179.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB3' ' HA ' ' A' ' 14' ' ' LEU . . . -77.37 -7.37 55.98 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.733 -0.604 . . . . 0.0 109.991 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -70.91 -20.24 62.51 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.262 -0.899 . . . . 0.0 109.22 179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.6 tptm -73.63 -8.43 55.94 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.459 0.647 . . . . 0.0 109.619 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -125.15 154.36 41.61 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.546 -0.721 . . . . 0.0 110.368 -179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.926 -1.734 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.731 ' HA ' HD22 ' A' ' 4' ' ' LEU . 10.5 ttmt . . . . . 0 N--CA 1.49 1.563 0 CA-C-O 121.219 0.533 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.519 ' CB ' ' O ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER 70.62 -156.58 0.13 Allowed 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.11 -0.994 . . . . 0.0 110.861 179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.528 ' HG3' ' N ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -39.84 -24.8 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.786 -0.571 . . . . 0.0 111.627 -179.375 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.005 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.0 OUTLIER -41.12 -37.87 0.95 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.411 -0.806 . . . . 0.0 110.038 179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 1.005 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -48.24 -21.51 0.51 Allowed 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.513 0.673 . . . . 0.0 110.821 -179.613 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.38 -12.78 1.81 Allowed 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.622 -0.674 . . . . 0.0 111.233 -179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -132.09 2.16 3.93 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.071 -1.018 . . . . 0.0 110.292 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.543 ' HB ' ' HA ' ' A' ' 5' ' ' PHE . 2.6 mm -81.73 -43.22 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.393 -0.817 . . . . 0.0 110.139 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.04 88.1 0.47 Allowed Glycine 0 N--CA 1.488 2.154 0 N-CA-C 109.652 -1.379 . . . . 0.0 109.652 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 13' ' ' PHE . 2.5 pt -112.76 -37.46 2.74 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 121.439 -1.036 . . . . 0.0 109.944 179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.29 -43.42 19.28 Favored Glycine 0 N--CA 1.488 2.148 0 N-CA-C 109.513 -1.435 . . . . 0.0 109.513 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.89 -9.55 58.69 Favored 'General case' 0 C--N 1.293 -1.885 0 O-C-N 121.737 -0.861 . . . . 0.0 110.033 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.473 ' N ' ' O ' ' A' ' 10' ' ' ILE . 1.5 t80 -72.23 -40.89 67.44 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 121.928 0.87 . . . . 0.0 109.199 179.176 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.3 tp -79.72 -16.22 56.05 Favored 'General case' 0 C--N 1.295 -1.768 0 C-N-CA 120.128 -0.629 . . . . 0.0 109.539 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.432 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 0.5 OUTLIER -60.23 -20.18 57.72 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 178.583 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.403 ' HA ' ' HG3' ' A' ' 19' ' ' LYS . 27.6 t -77.7 -30.67 51.95 Favored 'General case' 0 C--N 1.303 -1.444 0 CA-C-O 121.916 0.865 . . . . 0.0 108.949 178.739 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.91 -18.0 65.17 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.61 0.719 . . . . 0.0 109.173 179.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 4.7 pttp -81.23 -24.22 37.54 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.622 0.725 . . . . 0.0 109.481 179.502 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 16' ' ' SER . 7.1 mttt -71.51 -13.89 61.94 Favored 'General case' 0 C--N 1.297 -1.693 0 CA-C-O 121.703 0.763 . . . . 0.0 109.284 179.069 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-85 -114.62 68.17 0.7 Allowed 'General case' 0 C--N 1.299 -1.605 0 C-N-CA 120.185 -0.606 . . . . 0.0 109.918 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.946 -1.721 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 CA-C-O 121.301 0.572 . . . . 0.0 110.237 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' O ' ' CE3' ' A' ' 2' ' ' TRP . 60.5 p-90 -134.81 39.53 2.98 Favored 'General case' 0 N--CA 1.492 1.655 0 CA-C-O 121.919 0.866 . . . . 0.0 110.0 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.97 -0.67 19.52 Favored 'General case' 0 C--N 1.292 -1.908 0 O-C-N 121.813 -0.554 . . . . 0.0 110.346 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.702 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.9 OUTLIER -67.56 -11.07 57.22 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.238 -0.914 . . . . 0.0 109.93 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -85.31 -23.7 27.99 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.811 0.815 . . . . 0.0 110.409 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -53.56 -17.89 2.44 Favored 'General case' 0 N--CA 1.494 1.749 0 CA-C-O 121.35 0.595 . . . . 0.0 111.235 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -104.49 -26.62 12.32 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.235 -0.916 . . . . 0.0 109.883 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.2 mm -85.85 -17.44 9.41 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.69 0 O-C-N 121.648 -0.657 . . . . 0.0 110.257 179.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.27 61.23 0.33 Allowed Glycine 0 N--CA 1.492 2.397 0 N-CA-C 109.977 -1.249 . . . . 0.0 109.977 -179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.596 ' CA ' ' HB2' ' A' ' 13' ' ' PHE . 11.1 tp -148.86 -43.59 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.23 -1.159 . . . . 0.0 109.431 179.664 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.571 ' N ' ' CG2' ' A' ' 10' ' ' ILE . . . -50.29 -73.7 0.35 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 108.581 -1.808 . . . . 0.0 108.581 179.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 12' ' ' LYS . 4.5 ttpt -66.44 -11.14 50.34 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.859 0.838 . . . . 0.0 109.197 178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB2' ' CA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -70.17 -34.99 73.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.345 -0.847 . . . . 0.0 110.376 179.715 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' HA ' ' A' ' 14' ' ' LEU . 1.7 tp -65.97 -25.69 67.22 Favored 'General case' 0 C--N 1.293 -1.854 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.902 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 12' ' ' LYS . 4.6 m-70 -54.55 -22.41 13.08 Favored 'General case' 0 C--N 1.297 -1.692 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 178.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.433 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 30.1 t -79.17 -32.07 44.14 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.952 -0.759 . . . . 0.0 108.952 178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.59 -18.32 40.29 Favored 'General case' 0 C--N 1.299 -1.607 0 N-CA-C 108.816 -0.809 . . . . 0.0 108.816 178.638 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 7.3 tptt -70.21 -19.94 63.13 Favored 'General case' 0 C--N 1.303 -1.45 0 CA-C-O 121.876 0.846 . . . . 0.0 108.941 178.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.433 ' HG3' ' O ' ' A' ' 16' ' ' SER . 3.1 mtmm -85.17 -6.11 59.3 Favored 'General case' 0 C--N 1.298 -1.646 0 CA-C-O 121.482 0.658 . . . . 0.0 109.46 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -129.73 141.26 50.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.452 -0.78 . . . . 0.0 109.953 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.88 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.46 ' C ' ' CD1' ' A' ' 2' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.418 0.628 . . . . 0.0 109.879 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.56 ' CD1' ' N ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -147.57 34.97 0.86 Allowed 'General case' 0 N--CA 1.495 1.78 0 CA-C-O 121.922 0.868 . . . . 0.0 110.004 -179.635 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 6' ' ' LYS . 38.0 tttt -69.66 -7.0 35.22 Favored 'General case' 0 C--N 1.291 -1.943 0 CA-C-O 121.403 0.62 . . . . 0.0 109.77 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 HD23 ' N ' ' A' ' 5' ' ' PHE . 0.8 OUTLIER -70.57 -19.09 62.9 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.301 -0.875 . . . . 0.0 109.956 -179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.645 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -85.28 -22.14 28.72 Favored 'General case' 0 C--N 1.296 -1.735 0 CA-C-O 121.614 0.721 . . . . 0.0 110.034 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' HB2' ' O ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -44.92 -44.92 10.1 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.548 0.69 . . . . 0.0 110.216 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -29.97 68.34 Favored 'General case' 0 C--N 1.296 -1.754 0 CA-C-O 121.887 0.851 . . . . 0.0 109.325 179.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 5' ' ' PHE . 36.3 mm -85.52 -5.36 9.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.771 0 CA-C-O 121.496 0.665 . . . . 0.0 109.74 179.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' C ' ' HB2' ' A' ' 13' ' ' PHE . . . -77.97 3.48 61.08 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.668 -1.373 . . . . 0.0 109.668 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.834 HG23 ' H ' ' A' ' 11' ' ' GLY . 1.2 tp -146.43 -71.51 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 121.151 -1.205 . . . . 0.0 111.148 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.834 ' H ' HG23 ' A' ' 10' ' ' ILE . . . -43.52 -69.67 0.64 Allowed Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.175 -1.57 . . . . 0.0 109.175 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.7 mptp? -75.28 -2.06 26.42 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 121.628 -0.925 . . . . 0.0 109.71 179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.593 ' HB2' ' N ' ' A' ' 10' ' ' ILE . 11.3 t80 -85.34 -47.11 10.33 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 122.165 0.983 . . . . 0.0 110.229 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.52 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -66.01 -5.81 10.77 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.604 -179.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.07 -33.03 72.68 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.073 -1.017 . . . . 0.0 109.245 179.527 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.5 t -77.39 -27.29 52.44 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 121.706 0.765 . . . . 0.0 109.685 179.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.15 -14.94 60.6 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.549 0.69 . . . . 0.0 109.82 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.65 -15.82 56.89 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.52 -0.738 . . . . 0.0 109.855 179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 -13.38 50.51 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-O 121.717 0.77 . . . . 0.0 109.706 179.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -112.46 -126.67 0.28 Allowed 'General case' 0 C--N 1.298 -1.631 0 O-C-N 121.711 -0.618 . . . . 0.0 109.843 179.517 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.286 0 O-C-N 119.639 -1.913 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_