data_1btt_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 1btt _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.1 p -65.34 -42.86 92.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.619 -0.675 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -31.03 71.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.573 -0.704 . . . . 0.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -73.2 -27.23 61.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.593 -0.692 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -30.64 53.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.48 -0.763 . . . . 0.0 109.453 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 8' ' ' ILE . 66.8 mt -69.61 -39.14 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.579 -0.701 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -63.13 -50.6 69.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.564 -0.71 . . . . 0.0 109.512 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -61.14 -30.57 70.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.508 -0.745 . . . . 0.0 109.6 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.98 67.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.727 -0.608 . . . . 0.0 109.603 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -72.98 -25.1 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.491 -0.755 . . . . 0.0 109.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -74.11 -46.05 45.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.55 -44.53 71.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.84 -34.25 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.468 -1.019 . . . . 0.0 109.34 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.42 -27.61 67.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.608 -0.682 . . . . 0.0 109.549 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.91 -26.09 34.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.528 -0.733 . . . . 0.0 109.845 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.36 62.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.443 -0.785 . . . . 0.0 109.711 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -47.78 68.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.572 -0.705 . . . . 0.0 109.688 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 109.696 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -54.68 11.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.513 -0.742 . . . . 0.0 109.643 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.07 -29.46 70.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.499 -0.751 . . . . 0.0 109.66 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.4 -28.91 59.64 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.69 -54.78 16.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.59 -0.694 . . . . 0.0 109.376 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.12 -31.86 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.651 -0.656 . . . . 0.0 109.33 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -65.72 -33.37 75.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.579 -0.701 . . . . 0.0 109.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -69.8 -32.1 70.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.582 -0.699 . . . . 0.0 109.523 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.53 79.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.637 -0.664 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.4 t -64.92 -44.34 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.642 -0.661 . . . . 0.0 109.517 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.61 -27.76 68.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.519 -0.738 . . . . 0.0 109.773 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.06 -48.48 53.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.37 -31.03 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.559 -0.965 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -31.08 65.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.507 -0.745 . . . . 0.0 109.459 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -63.06 -47.83 81.24 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.592 -0.693 . . . . 0.0 109.411 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 -25.3 60.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.612 -0.68 . . . . 0.0 109.753 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -74.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.362 -0.836 . . . . 0.0 109.892 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.456 -0.778 . . . . 0.0 109.692 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -47.94 75.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.528 -0.732 . . . . 0.0 109.431 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.01 -50.0 73.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.586 -0.697 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.06 -16.65 63.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.7 -0.625 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -72.0 -46.32 57.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 109.782 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.39 -34.67 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.795 . . . . 0.0 109.711 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -62.69 -47.51 83.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.487 -0.758 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -68.72 -24.29 64.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 109.748 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -26.37 64.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.44 -0.788 . . . . 0.0 109.538 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -78.18 -50.44 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.481 -0.762 . . . . 0.0 109.355 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -18.9 64.7 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 109.886 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.7 -42.46 7.75 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 tt -62.6 -28.54 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.338 -1.096 . . . . 0.0 109.434 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -30.41 27.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.684 -0.635 . . . . 0.0 109.4 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.37 -31.11 70.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.6 -0.687 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.76 -33.41 19.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.7 -26.31 66.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.559 -0.713 . . . . 0.0 109.623 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.379 -0.826 . . . . 0.0 109.64 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -69.72 -48.11 60.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.483 -0.761 . . . . 0.0 109.456 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.17 -26.46 68.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.612 -0.68 . . . . 0.0 109.78 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.87 -31.44 59.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.491 -0.755 . . . . 0.0 109.607 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -58.55 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.549 -0.72 . . . . 0.0 109.465 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.08 -32.88 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.481 -0.762 . . . . 0.0 109.277 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 t -65.3 -30.96 71.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.717 -0.614 . . . . 0.0 109.353 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -73.17 -27.78 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -62.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.551 -0.718 . . . . 0.0 109.652 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.83 -59.36 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.578 -0.701 . . . . 0.0 109.55 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.84 -24.31 61.84 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.592 -0.693 . . . . 0.0 110.124 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.25 -46.36 93.18 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.37 -34.58 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.57 -0.959 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -29.39 67.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.603 -0.686 . . . . 0.0 109.618 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -73.66 -29.98 62.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.53 -0.732 . . . . 0.0 109.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.97 44.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.494 -0.754 . . . . 0.0 109.47 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.55 -56.1 8.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.617 -0.677 . . . . 0.0 109.388 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.521 -0.737 . . . . 0.0 109.457 -179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -40.32 76.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.585 -0.697 . . . . 0.0 109.504 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.99 -40.14 96.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.537 -0.727 . . . . 0.0 109.602 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.6 -25.91 66.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.6 -0.687 . . . . 0.0 109.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -81.26 -25.65 36.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.431 -0.793 . . . . 0.0 110.281 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.1 mt -75.79 -31.04 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.637 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -78.04 -43.79 28.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.506 -0.746 . . . . 0.0 109.622 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.4 t -68.49 -31.17 70.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.579 -0.701 . . . . 0.0 109.757 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.32 69.94 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.514 -0.741 . . . . 0.0 110.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.6 -64.11 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.757 . . . . 0.0 109.976 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.24 -20.67 59.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.638 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.74 -31.05 50.93 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.69 -31.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -1.055 . . . . 0.0 109.566 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.66 28.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.486 -0.759 . . . . 0.0 109.415 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -80.64 -23.79 39.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 109.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.2 10.09 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.829 . . . . 0.0 109.851 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -35.81 79.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.471 -0.768 . . . . 0.0 109.615 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.538 -0.726 . . . . 0.0 109.506 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 t -61.37 -57.69 11.27 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.436 -0.79 . . . . 0.0 109.677 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.34 -23.9 67.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.625 . . . . 0.0 109.927 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.36 -32.26 71.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.433 -0.792 . . . . 0.0 109.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -48.93 30.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 109.681 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.57 -27.95 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.537 -0.727 . . . . 0.0 109.802 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -73.23 -30.25 63.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.466 -0.771 . . . . 0.0 109.715 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -70.85 -42.38 70.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.35 63.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.529 -0.732 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -61.87 -27.85 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.607 -0.683 . . . . 0.0 109.66 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -35.27 80.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.477 -0.764 . . . . 0.0 109.464 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.15 -28.1 64.94 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.32 -27.29 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.531 -0.982 . . . . 0.0 109.737 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mp -77.35 -37.62 51.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.521 -0.737 . . . . 0.0 109.622 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.22 -41.72 99.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.525 -0.734 . . . . 0.0 109.651 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.55 58.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.502 -0.749 . . . . 0.0 109.879 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -39.0 87.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.431 -0.793 . . . . 0.0 109.57 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.543 -0.723 . . . . 0.0 109.237 179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 m -62.59 -49.54 74.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.722 . . . . 0.0 109.309 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.71 -21.05 63.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.659 -0.65 . . . . 0.0 109.753 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.66 -39.19 70.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.344 -0.847 . . . . 0.0 109.83 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -49.26 41.53 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 109.772 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 tt -63.18 -28.48 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.531 -0.731 . . . . 0.0 109.779 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -68.89 -37.34 78.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.576 -0.703 . . . . 0.0 109.745 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -21.21 37.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.512 -0.742 . . . . 0.0 110.283 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.59 -51.95 11.7 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.312 -0.867 . . . . 0.0 109.92 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.79 -51.34 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.569 -0.707 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -26.84 67.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.552 -0.718 . . . . 0.0 109.992 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.61 -37.77 77.75 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.95 -34.11 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.493 -1.004 . . . . 0.0 109.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -30.11 70.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 0.0 109.512 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.68 -38.97 73.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.569 -0.707 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.98 73.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.535 -0.728 . . . . 0.0 109.653 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -28.87 41.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.514 -0.741 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -40.54 72.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.393 -0.817 . . . . 0.0 109.654 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.28 -42.55 79.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.735 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -23.87 62.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.613 -0.679 . . . . 0.0 109.972 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.43 -57.97 4.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -62.21 -31.22 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.567 -0.708 . . . . 0.0 109.683 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -64.79 -41.02 96.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.549 -0.719 . . . . 0.0 109.531 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -80.07 -18.39 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.694 -0.629 . . . . 0.0 110.357 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 -61.35 1.89 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -0.906 . . . . 0.0 109.618 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.94 -45.07 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.477 -0.765 . . . . 0.0 109.832 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.46 -26.65 65.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.609 -0.682 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.3 -36.12 88.97 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.489 HG22 HD11 ' A' ' 15' ' ' ILE . 45.0 mm -69.43 -41.36 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.567 -0.961 . . . . 0.0 109.585 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.44 -28.79 69.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.673 -0.642 . . . . 0.0 109.599 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -80.31 -29.35 38.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.57 -0.706 . . . . 0.0 109.514 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.6 60.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.546 -0.721 . . . . 0.0 109.509 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.92 -51.74 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.584 -0.697 . . . . 0.0 109.609 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.804 -179.583 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -69.25 -51.79 34.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.548 -0.72 . . . . 0.0 109.454 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.58 -16.86 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.637 -0.664 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -57.31 4.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 109.564 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.24 -44.01 97.53 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 109.889 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.61 -23.06 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.448 -0.782 . . . . 0.0 110.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -80.87 -28.3 36.04 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.326 -0.859 . . . . 0.0 109.662 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -77.81 -26.76 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.503 -0.748 . . . . 0.0 109.784 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.43 -48.01 21.15 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.535 -0.728 . . . . 0.0 109.801 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.88 -53.02 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.493 -0.754 . . . . 0.0 109.585 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.0 -23.49 67.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 110.269 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.74 -36.25 66.64 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.46 -47.35 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -1.012 . . . . 0.0 109.566 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.24 -28.54 69.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.725 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -84.0 -15.95 45.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.512 -0.742 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.9 -51.14 9.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -0.949 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.14 -55.52 5.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.573 -0.704 . . . . 0.0 109.857 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 110.06 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -64.35 -41.53 96.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.632 -0.668 . . . . 0.0 109.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.04 -31.17 71.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 109.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.8 -29.81 66.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.555 -0.716 . . . . 0.0 109.399 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -33.96 74.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 109.582 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.1 mm -77.65 -27.63 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -79.89 -26.76 40.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.484 -0.76 . . . . 0.0 110.087 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -82.62 -30.68 29.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 -45.15 27.44 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 109.828 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.71 -32.18 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.484 -0.76 . . . . 0.0 109.776 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -74.79 -33.34 62.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.532 -0.73 . . . . 0.0 109.752 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.57 -40.24 67.26 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.55 -33.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.556 -0.967 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.34 -28.97 64.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.574 -0.704 . . . . 0.0 109.749 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -68.98 -49.09 60.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.725 . . . . 0.0 109.621 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -29.38 69.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.649 -0.657 . . . . 0.0 109.736 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -41.94 99.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.488 -0.758 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.572 -0.705 . . . . 0.0 109.588 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -64.3 -40.38 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.632 -0.668 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.07 -33.35 75.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.599 -0.688 . . . . 0.0 109.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.09 -25.41 55.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.857 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.48 -36.63 60.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.403 -0.81 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.426 HD11 HG22 ' A' ' 8' ' ' ILE . 59.3 mt -74.79 -40.25 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.491 -0.755 . . . . 0.0 109.656 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -63.58 -50.1 70.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.554 -0.716 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -68.16 -25.42 65.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.569 -0.707 . . . . 0.0 109.898 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.0 90.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -66.77 -53.23 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.492 -0.755 . . . . 0.0 109.631 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -19.16 56.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.571 -0.706 . . . . 0.0 110.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.41 -30.98 35.12 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.72 -45.31 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.974 . . . . 0.0 109.229 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.73 -34.04 77.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.546 -0.721 . . . . 0.0 109.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -24.2 49.76 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.56 -0.713 . . . . 0.0 109.798 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.07 60.12 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.481 -0.762 . . . . 0.0 109.707 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.54 -32.22 36.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.547 -0.72 . . . . 0.0 109.509 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -63.01 -61.19 2.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.512 -0.743 . . . . 0.0 109.719 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.48 -32.37 72.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.728 . . . . 0.0 109.86 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.8 tp -64.35 -31.55 72.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.565 -0.71 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -33.54 65.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.606 -0.684 . . . . 0.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.63 -31.64 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -67.99 -55.54 12.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.548 -0.72 . . . . 0.0 109.437 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -62.9 -25.01 68.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.672 -0.642 . . . . 0.0 109.87 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.78 92.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.346 -0.846 . . . . 0.0 109.636 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.23 -53.64 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.49 -0.756 . . . . 0.0 109.478 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -22.5 64.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.603 -0.686 . . . . 0.0 109.942 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.39 -33.71 61.2 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.77 -45.09 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.19 -37.33 87.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.655 -0.653 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -17.39 58.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.082 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 -54.41 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.315 -0.866 . . . . 0.0 109.494 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -32.53 73.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.53 -0.731 . . . . 0.0 109.642 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 109.402 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -46.33 80.21 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.564 -0.71 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.84 -22.97 64.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.477 -0.765 . . . . 0.0 110.247 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.69 -37.61 59.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 110.152 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.83 -44.67 47.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.453 -0.78 . . . . 0.0 110.064 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.43 -26.98 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -72.7 -45.99 56.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.473 -0.767 . . . . 0.0 109.831 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -66.05 -27.27 67.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.567 -0.708 . . . . 0.0 109.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -56.9 10.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.598 -0.689 . . . . 0.0 110.05 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -61.6 -53.4 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.82 -19.7 60.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.42 -41.14 46.05 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -66.66 -50.85 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.527 -0.984 . . . . 0.0 109.489 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.5 -28.28 69.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 109.654 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.75 -39.71 94.95 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.611 -0.68 . . . . 0.0 109.75 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.74 81.34 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.579 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -64.3 0.97 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 109.559 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.45 -0.781 . . . . 0.0 110.856 -179.121 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -62.92 -49.72 73.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.504 -0.747 . . . . 0.0 109.524 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.66 -30.7 71.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 0.0 109.463 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.82 81.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.603 -0.686 . . . . 0.0 109.176 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.62 -36.4 82.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.609 -0.682 . . . . 0.0 109.317 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.451 HG21 HD11 ' A' ' 8' ' ' ILE . 48.1 mm -64.31 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.605 -0.684 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -65.78 -32.47 74.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.554 -0.716 . . . . 0.0 109.245 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -74.06 -23.83 59.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.671 -0.643 . . . . 0.0 109.833 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.59 66.39 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 0.0 109.615 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.4 t -71.26 -32.58 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.49 -0.756 . . . . 0.0 109.693 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.527 -0.733 . . . . 0.0 109.748 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.0 -43.63 21.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 tt -63.02 -30.68 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.604 -0.939 . . . . 0.0 109.219 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -75.96 -30.03 58.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.545 -0.722 . . . . 0.0 109.296 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.64 -37.2 85.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.484 -0.76 . . . . 0.0 109.414 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.58 27.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.577 -0.702 . . . . 0.0 109.631 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -61.46 2.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.574 -0.704 . . . . 0.0 109.325 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 t -65.67 -63.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.27 -0.894 . . . . 0.0 109.731 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.81 -31.47 72.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.472 -0.767 . . . . 0.0 109.781 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.34 -20.76 61.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.524 -0.735 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.6 -51.82 10.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.286 -0.884 . . . . 0.0 109.729 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.88 -36.76 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 0.0 109.603 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -65.68 -46.67 78.19 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.541 -0.724 . . . . 0.0 109.659 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -73.38 -15.6 61.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.636 -0.665 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.85 65.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.232 -0.918 . . . . 0.0 109.544 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 t -73.53 -62.39 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.615 -0.678 . . . . 0.0 109.504 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -61.95 -18.76 61.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.638 -0.664 . . . . 0.0 110.337 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.02 -43.67 26.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -64.26 -37.49 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -1.007 . . . . 0.0 109.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -29.49 60.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.452 -0.78 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.79 -25.75 59.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.513 -0.742 . . . . 0.0 109.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -44.35 19.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.492 -0.755 . . . . 0.0 109.76 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.34 -42.83 99.33 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.447 -0.783 . . . . 0.0 109.542 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.489 -0.757 . . . . 0.0 109.341 179.755 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -48.0 80.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.578 -0.701 . . . . 0.0 109.241 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.09 -23.21 63.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.687 -0.633 . . . . 0.0 109.722 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tp -71.53 -31.63 67.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.44 -0.788 . . . . 0.0 109.536 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -75.76 -50.94 13.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.587 -0.696 . . . . 0.0 109.696 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 tt -60.55 -32.19 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.547 -0.721 . . . . 0.0 109.641 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -69.2 -34.52 75.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.674 -0.641 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -73.56 -29.52 62.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.597 -0.689 . . . . 0.0 109.695 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -51.83 31.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.523 -0.735 . . . . 0.0 109.639 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.9 -31.49 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.535 -0.728 . . . . 0.0 109.511 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.55 76.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.506 -0.746 . . . . 0.0 109.757 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -34.14 85.48 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.435 HG22 HD11 ' A' ' 15' ' ' ILE . 46.4 mm -66.19 -46.53 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.681 -0.893 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.27 -27.43 68.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.638 -0.663 . . . . 0.0 109.732 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.25 -38.53 85.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.468 -0.77 . . . . 0.0 109.574 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.46 61.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 109.66 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.97 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.466 -0.771 . . . . 0.0 109.593 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.547 -0.72 . . . . 0.0 109.457 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -71.26 -47.94 54.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.555 -0.716 . . . . 0.0 109.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.04 -27.47 69.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.562 -0.711 . . . . 0.0 109.704 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -27.06 51.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.747 . . . . 0.0 109.824 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.26 -36.67 63.85 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.571 -0.706 . . . . 0.0 109.952 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 8' ' ' ILE . 40.4 mm -80.74 -28.58 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.818 . . . . 0.0 109.742 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -78.8 -27.9 44.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.472 -0.768 . . . . 0.0 109.952 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -78.56 -34.18 47.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.749 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.42 79.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.56 -0.713 . . . . 0.0 109.725 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.47 -52.64 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -60.3 -24.59 65.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.545 -0.722 . . . . 0.0 110.081 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.84 55.42 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.38 -33.01 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.547 -0.972 . . . . 0.0 109.575 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.12 -26.14 58.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.518 -0.739 . . . . 0.0 109.845 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.27 -38.35 81.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.408 -0.808 . . . . 0.0 109.642 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -32.42 54.16 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.557 -0.715 . . . . 0.0 109.824 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.74 -60.41 3.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.508 -0.745 . . . . 0.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.522 -0.736 . . . . 0.0 110.734 -179.649 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m -62.65 -59.99 4.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.536 -0.728 . . . . 0.0 109.558 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.89 -22.81 64.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.569 -0.707 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -54.82 34.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.329 -0.857 . . . . 0.0 109.691 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.54 -41.67 97.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.544 -0.723 . . . . 0.0 109.938 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.58 -24.73 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.485 -0.759 . . . . 0.0 109.833 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -28.61 50.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.0 109.728 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -73.96 -32.69 63.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.593 -0.692 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.01 56.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.468 -0.77 . . . . 0.0 109.671 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -76.14 -26.62 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.577 -0.702 . . . . 0.0 109.599 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -74.96 -31.97 61.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.391 -0.818 . . . . 0.0 109.688 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.31 -49.46 26.03 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.3 -41.86 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.485 -1.009 . . . . 0.0 109.515 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.45 -25.36 65.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.664 . . . . 0.0 109.731 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.46 -40.23 89.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.443 -0.786 . . . . 0.0 109.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.85 67.11 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.501 -0.749 . . . . 0.0 109.529 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.0 tp -72.82 -29.45 63.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.603 -0.686 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -56.81 14.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.448 -0.782 . . . . 0.0 109.753 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -36.1 82.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -25.98 67.88 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.658 -0.651 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.4 -30.47 53.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.697 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 8' ' ' ILE . 58.3 mt -72.99 -47.89 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -49.59 76.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.542 -0.724 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -63.44 -25.19 68.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.634 -0.666 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.74 76.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.2 -0.937 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.73 -27.92 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.602 -0.686 . . . . 0.0 109.607 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -74.8 -21.12 59.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.41 -0.806 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.63 9.76 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 tp -64.67 -32.26 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.569 -0.959 . . . . 0.0 109.466 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.1 -40.45 59.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.587 -0.696 . . . . 0.0 109.543 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -23.39 64.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.688 . . . . 0.0 109.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.87 -36.29 42.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 0.0 109.585 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.29 0.71 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.554 -0.716 . . . . 0.0 109.531 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.539 -0.726 . . . . 0.0 109.545 -179.892 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 m -63.08 -41.94 99.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.534 -0.729 . . . . 0.0 109.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.95 -31.2 72.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.18 -30.97 70.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.592 -0.693 . . . . 0.0 109.537 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.37 -30.79 63.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.717 . . . . 0.0 109.641 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.75 -42.22 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 t -66.25 -42.2 88.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.432 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -62.26 -26.7 68.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.84 67.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.468 -0.77 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.28 -68.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.61 -0.681 . . . . 0.0 109.614 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.68 -20.64 61.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.572 -0.705 . . . . 0.0 110.205 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.8 -49.8 52.36 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.5 -43.91 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.465 -1.021 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -25.78 67.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.543 -0.723 . . . . 0.0 109.624 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -33.12 66.16 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.469 -0.769 . . . . 0.0 109.5 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -24.46 56.78 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.573 -0.704 . . . . 0.0 110.039 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.67 -69.24 0.61 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.467 -0.771 . . . . 0.0 109.773 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.498 -179.679 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 t -61.14 -48.05 83.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.764 . . . . 0.0 109.728 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.17 -32.28 73.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 109.396 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -25.42 62.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.643 -0.661 . . . . 0.0 109.741 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.07 -46.07 65.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.804 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.66 -33.01 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.742 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -74.69 -27.0 60.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.555 -0.716 . . . . 0.0 109.836 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -84.86 -22.74 29.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.444 -0.785 . . . . 0.0 110.07 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.14 56.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.345 -0.847 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 t -81.26 -39.23 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.586 -0.696 . . . . 0.0 109.703 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -73.43 -24.68 60.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.551 -0.718 . . . . 0.0 109.79 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 -44.12 12.07 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 tp -62.76 -31.46 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.579 -0.954 . . . . 0.0 109.53 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.94 -28.68 35.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.61 -0.681 . . . . 0.0 109.537 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.64 -31.67 71.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.57 -0.706 . . . . 0.0 109.493 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.24 -34.6 37.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.727 . . . . 0.0 109.72 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -71.97 0.14 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.555 -0.716 . . . . 0.0 109.567 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.56 -0.713 . . . . 0.0 109.865 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.613 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.05 93.95 0.68 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.45 -30.53 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.567 -0.961 . . . . 0.0 109.437 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.1 p -65.34 -42.86 92.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.619 -0.675 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -31.03 71.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.573 -0.704 . . . . 0.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -73.2 -27.23 61.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.593 -0.692 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -30.64 53.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.48 -0.763 . . . . 0.0 109.453 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD11 HG22 ' A' ' 8' ' ' ILE . 66.8 mt -69.61 -39.14 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.579 -0.701 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -63.13 -50.6 69.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.564 -0.71 . . . . 0.0 109.512 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -61.14 -30.57 70.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.508 -0.745 . . . . 0.0 109.6 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.98 67.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.727 -0.608 . . . . 0.0 109.603 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -72.98 -25.1 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.491 -0.755 . . . . 0.0 109.887 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -74.11 -46.05 45.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.55 -44.53 71.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.84 -34.25 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.468 -1.019 . . . . 0.0 109.34 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.42 -27.61 67.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.608 -0.682 . . . . 0.0 109.549 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.91 -26.09 34.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.528 -0.733 . . . . 0.0 109.845 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.36 62.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.443 -0.785 . . . . 0.0 109.711 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -47.78 68.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.572 -0.705 . . . . 0.0 109.688 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.14 68.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 109.696 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.18 -33.65 44.05 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.78 -68.99 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.611 -0.934 . . . . 0.0 109.508 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.766 -1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.647 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.84 139.33 2.73 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.08 -27.11 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.614 -0.933 . . . . 0.0 109.651 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -54.68 11.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.513 -0.742 . . . . 0.0 109.643 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.07 -29.46 70.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.499 -0.751 . . . . 0.0 109.66 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.4 -28.91 59.64 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.69 -54.78 16.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.59 -0.694 . . . . 0.0 109.376 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.12 -31.86 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.651 -0.656 . . . . 0.0 109.33 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -65.72 -33.37 75.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.579 -0.701 . . . . 0.0 109.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -69.8 -32.1 70.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.582 -0.699 . . . . 0.0 109.523 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.53 79.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.637 -0.664 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.4 t -64.92 -44.34 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.642 -0.661 . . . . 0.0 109.517 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.61 -27.76 68.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.519 -0.738 . . . . 0.0 109.773 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.06 -48.48 53.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.37 -31.03 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.559 -0.965 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -31.08 65.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.507 -0.745 . . . . 0.0 109.459 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -63.06 -47.83 81.24 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.592 -0.693 . . . . 0.0 109.411 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 -25.3 60.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.612 -0.68 . . . . 0.0 109.753 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -74.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.362 -0.836 . . . . 0.0 109.892 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -33.13 75.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.456 -0.778 . . . . 0.0 109.692 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.95 37.05 43.89 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 138.47 37.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.588 -0.948 . . . . 0.0 109.559 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.652 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.8 54.78 0.97 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.86 -30.53 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.531 -0.981 . . . . 0.0 109.444 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -47.94 75.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.528 -0.732 . . . . 0.0 109.431 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.01 -50.0 73.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.586 -0.697 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.06 -16.65 63.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.7 -0.625 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 tt -72.0 -46.32 57.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 109.782 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.6 mm -70.39 -34.67 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.795 . . . . 0.0 109.711 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -62.69 -47.51 83.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.487 -0.758 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -68.72 -24.29 64.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 109.748 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -26.37 64.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.44 -0.788 . . . . 0.0 109.538 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -78.18 -50.44 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.481 -0.762 . . . . 0.0 109.355 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -18.9 64.7 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 109.886 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.7 -42.46 7.75 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 3.7 tt -62.6 -28.54 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.338 -1.096 . . . . 0.0 109.434 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -30.41 27.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.684 -0.635 . . . . 0.0 109.4 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.37 -31.11 70.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.6 -0.687 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.76 -33.41 19.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.7 -26.31 66.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.559 -0.713 . . . . 0.0 109.623 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -60.8 3.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.379 -0.826 . . . . 0.0 109.64 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.81 -39.96 0.82 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.504 -0.997 . . . . 0.0 109.351 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.65 52.94 0.19 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 t -71.58 -29.99 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.59 -0.947 . . . . 0.0 109.549 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -69.72 -48.11 60.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.483 -0.761 . . . . 0.0 109.456 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.17 -26.46 68.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.612 -0.68 . . . . 0.0 109.78 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.87 -31.44 59.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.491 -0.755 . . . . 0.0 109.607 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.62 -58.55 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.549 -0.72 . . . . 0.0 109.465 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.08 -32.88 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.481 -0.762 . . . . 0.0 109.277 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 t -65.3 -30.96 71.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.717 -0.614 . . . . 0.0 109.353 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -73.17 -27.78 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -62.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.551 -0.718 . . . . 0.0 109.652 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.83 -59.36 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.578 -0.701 . . . . 0.0 109.55 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.84 -24.31 61.84 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.592 -0.693 . . . . 0.0 110.124 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.25 -46.36 93.18 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.37 -34.58 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.57 -0.959 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.64 -29.39 67.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.603 -0.686 . . . . 0.0 109.618 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -73.66 -29.98 62.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.53 -0.732 . . . . 0.0 109.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.97 44.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.494 -0.754 . . . . 0.0 109.47 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.55 -56.1 8.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.617 -0.677 . . . . 0.0 109.388 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.53 -39.57 94.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.521 -0.737 . . . . 0.0 109.457 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 31.17 80.04 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.59 116.06 19.57 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.63 -0.924 . . . . 0.0 109.488 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.97 -41.9 1.82 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.89 -30.56 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.514 -0.991 . . . . 0.0 109.347 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -40.32 76.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.585 -0.697 . . . . 0.0 109.504 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.99 -40.14 96.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.537 -0.727 . . . . 0.0 109.602 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.6 -25.91 66.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.6 -0.687 . . . . 0.0 109.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 tt -81.26 -25.65 36.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.431 -0.793 . . . . 0.0 110.281 -179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 31.1 mt -75.79 -31.04 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.637 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -78.04 -43.79 28.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.506 -0.746 . . . . 0.0 109.622 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.4 t -68.49 -31.17 70.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.579 -0.701 . . . . 0.0 109.757 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.32 69.94 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.514 -0.741 . . . . 0.0 110.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 42.8 t -61.6 -64.11 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.757 . . . . 0.0 109.976 -179.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.24 -20.67 59.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.638 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.74 -31.05 50.93 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 7.9 mt -74.69 -31.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -1.055 . . . . 0.0 109.566 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.66 28.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.486 -0.759 . . . . 0.0 109.415 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -80.64 -23.79 39.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 109.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.2 10.09 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.829 . . . . 0.0 109.851 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.14 -35.81 79.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.471 -0.768 . . . . 0.0 109.615 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.4 -51.81 66.09 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.538 -0.726 . . . . 0.0 109.506 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.01 -44.93 1.39 Allowed Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.6 83.52 7.99 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.61 -0.936 . . . . 0.0 109.514 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.637 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.07 115.41 0.48 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.75 -28.54 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.639 -0.918 . . . . 0.0 109.42 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 t -61.37 -57.69 11.27 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.436 -0.79 . . . . 0.0 109.677 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.34 -23.9 67.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.625 . . . . 0.0 109.927 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.36 -32.26 71.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.433 -0.792 . . . . 0.0 109.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.23 -48.93 30.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 109.681 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.57 -27.95 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.537 -0.727 . . . . 0.0 109.802 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -73.23 -30.25 63.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.466 -0.771 . . . . 0.0 109.715 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -70.85 -42.38 70.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.35 63.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.529 -0.732 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -61.87 -27.85 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.607 -0.683 . . . . 0.0 109.66 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -35.27 80.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.477 -0.764 . . . . 0.0 109.464 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.15 -28.1 64.94 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.9 mt -72.32 -27.29 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.531 -0.982 . . . . 0.0 109.737 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mp -77.35 -37.62 51.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.521 -0.737 . . . . 0.0 109.622 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.22 -41.72 99.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.525 -0.734 . . . . 0.0 109.651 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.55 58.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.502 -0.749 . . . . 0.0 109.879 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -39.0 87.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.431 -0.793 . . . . 0.0 109.57 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.16 -52.58 61.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.543 -0.723 . . . . 0.0 109.237 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.22 -47.16 0.84 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 -27.02 68.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.579 -0.953 . . . . 0.0 109.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.89 47.39 0.72 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.17 -29.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.635 -0.921 . . . . 0.0 109.425 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 m -62.59 -49.54 74.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.722 . . . . 0.0 109.309 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -69.71 -21.05 63.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.659 -0.65 . . . . 0.0 109.753 179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.66 -39.19 70.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.344 -0.847 . . . . 0.0 109.83 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.65 -49.26 41.53 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 109.772 -179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.1 tt -63.18 -28.48 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.531 -0.731 . . . . 0.0 109.779 -179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -68.89 -37.34 78.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.576 -0.703 . . . . 0.0 109.745 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -21.21 37.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.512 -0.742 . . . . 0.0 110.283 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.59 -51.95 11.7 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.312 -0.867 . . . . 0.0 109.92 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.79 -51.34 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.569 -0.707 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -26.84 67.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.552 -0.718 . . . . 0.0 109.992 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.61 -37.77 77.75 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.95 -34.11 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.493 -1.004 . . . . 0.0 109.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.92 -30.11 70.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 0.0 109.512 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.68 -38.97 73.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.569 -0.707 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.98 73.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.535 -0.728 . . . . 0.0 109.653 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -28.87 41.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.514 -0.741 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.06 -57.51 10.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.69 -50.8 39.86 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.16 -162.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.56 -0.965 . . . . 0.0 109.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.57 83.99 0.36 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.34 -25.02 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.629 -0.924 . . . . 0.0 109.726 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -40.54 72.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.393 -0.817 . . . . 0.0 109.654 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.28 -42.55 79.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.735 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -71.28 -23.87 62.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.613 -0.679 . . . . 0.0 109.972 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.43 -57.97 4.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -62.21 -31.22 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.567 -0.708 . . . . 0.0 109.683 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -64.79 -41.02 96.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.549 -0.719 . . . . 0.0 109.531 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -80.07 -18.39 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.694 -0.629 . . . . 0.0 110.357 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 -61.35 1.89 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -0.906 . . . . 0.0 109.618 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.94 -45.07 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.477 -0.765 . . . . 0.0 109.832 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.46 -26.65 65.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.609 -0.682 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.3 -36.12 88.97 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.489 HG22 HD11 ' A' ' 15' ' ' ILE . 45.0 mm -69.43 -41.36 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.567 -0.961 . . . . 0.0 109.585 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.44 -28.79 69.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.673 -0.642 . . . . 0.0 109.599 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -80.31 -29.35 38.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.57 -0.706 . . . . 0.0 109.514 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.6 60.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.546 -0.721 . . . . 0.0 109.509 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -64.92 -51.74 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.584 -0.697 . . . . 0.0 109.609 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt -87.74 15.44 6.95 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.804 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -30.41 75.29 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.27 121.25 22.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.559 -0.965 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.633 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.74 -38.96 0.06 OUTLIER Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.48 -32.12 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.584 -0.951 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -69.25 -51.79 34.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.548 -0.72 . . . . 0.0 109.454 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.58 -16.86 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.637 -0.664 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -57.31 4.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 109.564 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.24 -44.01 97.53 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 109.889 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.61 -23.06 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.448 -0.782 . . . . 0.0 110.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -80.87 -28.3 36.04 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.326 -0.859 . . . . 0.0 109.662 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -77.81 -26.76 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.503 -0.748 . . . . 0.0 109.784 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.43 -48.01 21.15 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.535 -0.728 . . . . 0.0 109.801 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.88 -53.02 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.493 -0.754 . . . . 0.0 109.585 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.0 -23.49 67.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 110.269 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.74 -36.25 66.64 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.46 -47.35 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -1.012 . . . . 0.0 109.566 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.24 -28.54 69.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.725 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -84.0 -15.95 45.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.512 -0.742 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.9 -51.14 9.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -0.949 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.14 -55.52 5.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.573 -0.704 . . . . 0.0 109.857 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -24.44 57.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 110.06 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.44 47.25 1.06 Allowed Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.636 -1.385 . . . . 0.0 109.636 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.93 85.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.987 . . . . 0.0 109.571 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.574 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.39 -95.18 1.12 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -63.59 -37.62 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.537 -0.978 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -64.35 -41.53 96.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.632 -0.668 . . . . 0.0 109.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.04 -31.17 71.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 109.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.8 -29.81 66.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.555 -0.716 . . . . 0.0 109.399 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -33.96 74.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 109.582 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.1 mm -77.65 -27.63 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -79.89 -26.76 40.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.484 -0.76 . . . . 0.0 110.087 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -82.62 -30.68 29.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 -45.15 27.44 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 109.828 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -73.71 -32.18 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.484 -0.76 . . . . 0.0 109.776 -179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -74.79 -33.34 62.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.532 -0.73 . . . . 0.0 109.752 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.57 -40.24 67.26 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.55 -33.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.556 -0.967 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.34 -28.97 64.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.574 -0.704 . . . . 0.0 109.749 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -68.98 -49.09 60.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.725 . . . . 0.0 109.621 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -29.38 69.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.649 -0.657 . . . . 0.0 109.736 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.64 -41.94 99.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.488 -0.758 . . . . 0.0 109.521 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.82 -29.59 67.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.572 -0.705 . . . . 0.0 109.588 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.54 54.54 0.78 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.02 47.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.622 -0.928 . . . . 0.0 109.445 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.673 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.71 -72.23 0.46 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.7 t -68.34 -33.19 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.593 -0.945 . . . . 0.0 109.541 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -64.3 -40.38 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.632 -0.668 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.07 -33.35 75.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.599 -0.688 . . . . 0.0 109.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.09 -25.41 55.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.857 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.48 -36.63 60.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.403 -0.81 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.426 HD11 HG22 ' A' ' 8' ' ' ILE . 59.3 mt -74.79 -40.25 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.491 -0.755 . . . . 0.0 109.656 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -63.58 -50.1 70.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.554 -0.716 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -68.16 -25.42 65.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.569 -0.707 . . . . 0.0 109.898 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.0 90.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -66.77 -53.23 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.492 -0.755 . . . . 0.0 109.631 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -19.16 56.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.571 -0.706 . . . . 0.0 110.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.41 -30.98 35.12 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.72 -45.31 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.974 . . . . 0.0 109.229 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -64.73 -34.04 77.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.546 -0.721 . . . . 0.0 109.486 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -24.2 49.76 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.56 -0.713 . . . . 0.0 109.798 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.07 60.12 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.481 -0.762 . . . . 0.0 109.707 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.54 -32.22 36.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -45.51 72.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.547 -0.72 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.29 -53.86 12.53 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.03 162.16 26.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.576 -0.955 . . . . 0.0 109.387 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.65 87.91 0.17 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.3 t -75.08 -27.92 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.567 -0.961 . . . . 0.0 109.644 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -63.01 -61.19 2.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.512 -0.743 . . . . 0.0 109.719 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.48 -32.37 72.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.728 . . . . 0.0 109.86 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.8 tp -64.35 -31.55 72.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.565 -0.71 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -33.54 65.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.606 -0.684 . . . . 0.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.63 -31.64 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -67.99 -55.54 12.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.548 -0.72 . . . . 0.0 109.437 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -62.9 -25.01 68.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.672 -0.642 . . . . 0.0 109.87 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.78 92.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.346 -0.846 . . . . 0.0 109.636 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.23 -53.64 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.49 -0.756 . . . . 0.0 109.478 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -22.5 64.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.603 -0.686 . . . . 0.0 109.942 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.39 -33.71 61.2 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.77 -45.09 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.19 -37.33 87.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.655 -0.653 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -17.39 58.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.082 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 -54.41 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.315 -0.866 . . . . 0.0 109.494 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -32.53 73.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.53 -0.731 . . . . 0.0 109.642 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -74.93 -29.74 61.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 109.402 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.95 50.75 0.86 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.52 168.33 6.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.942 . . . . 0.0 109.428 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.821 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.97 94.21 0.62 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t -71.77 -31.52 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.573 -0.957 . . . . 0.0 109.435 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -46.33 80.21 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.564 -0.71 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.84 -22.97 64.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.477 -0.765 . . . . 0.0 110.247 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.5 mt -75.69 -37.61 59.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 110.152 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.1 mp -74.83 -44.67 47.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.453 -0.78 . . . . 0.0 110.064 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.43 -26.98 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -72.7 -45.99 56.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.473 -0.767 . . . . 0.0 109.831 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.0 t -66.05 -27.27 67.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.567 -0.708 . . . . 0.0 109.914 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -56.9 10.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.598 -0.689 . . . . 0.0 110.05 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -61.6 -53.4 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.82 -19.7 60.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.42 -41.14 46.05 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -66.66 -50.85 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.527 -0.984 . . . . 0.0 109.489 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.5 -28.28 69.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 109.654 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.75 -39.71 94.95 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.611 -0.68 . . . . 0.0 109.75 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.74 81.34 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.579 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -64.3 0.97 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 109.559 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -89.38 22.1 3.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.45 -0.781 . . . . 0.0 110.856 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.52 -29.0 68.48 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.53 118.95 20.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.561 -0.964 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.671 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.27 -41.5 0.5 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 t -65.25 -34.66 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.581 -0.953 . . . . 0.0 109.403 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -62.92 -49.72 73.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.504 -0.747 . . . . 0.0 109.524 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.66 -30.7 71.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 0.0 109.463 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.82 81.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.603 -0.686 . . . . 0.0 109.176 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.62 -36.4 82.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.609 -0.682 . . . . 0.0 109.317 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.451 HG21 HD11 ' A' ' 8' ' ' ILE . 48.1 mm -64.31 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.605 -0.684 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -65.78 -32.47 74.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.554 -0.716 . . . . 0.0 109.245 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -74.06 -23.83 59.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.671 -0.643 . . . . 0.0 109.833 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.59 66.39 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 0.0 109.615 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.4 t -71.26 -32.58 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.49 -0.756 . . . . 0.0 109.693 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.527 -0.733 . . . . 0.0 109.748 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.0 -43.63 21.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 2.9 tt -63.02 -30.68 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.604 -0.939 . . . . 0.0 109.219 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -75.96 -30.03 58.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.545 -0.722 . . . . 0.0 109.296 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.64 -37.2 85.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.484 -0.76 . . . . 0.0 109.414 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.58 27.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.577 -0.702 . . . . 0.0 109.631 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -61.46 2.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.97 -45.03 83.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.574 -0.704 . . . . 0.0 109.325 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.59 -31.87 8.22 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -73.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.54 -0.976 . . . . 0.0 109.523 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.02 157.96 20.1 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 t -72.59 -15.67 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.55 -0.971 . . . . 0.0 110.207 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 t -65.67 -63.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.27 -0.894 . . . . 0.0 109.731 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.81 -31.47 72.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.472 -0.767 . . . . 0.0 109.781 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -72.34 -20.76 61.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.524 -0.735 . . . . 0.0 110.11 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.6 -51.82 10.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.286 -0.884 . . . . 0.0 109.729 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.88 -36.76 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 0.0 109.603 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -65.68 -46.67 78.19 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.541 -0.724 . . . . 0.0 109.659 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -73.38 -15.6 61.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.636 -0.665 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.85 65.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.232 -0.918 . . . . 0.0 109.544 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 t -73.53 -62.39 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.615 -0.678 . . . . 0.0 109.504 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -61.95 -18.76 61.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.638 -0.664 . . . . 0.0 110.337 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.02 -43.67 26.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -64.26 -37.49 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -1.007 . . . . 0.0 109.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -29.49 60.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.452 -0.78 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.79 -25.75 59.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.513 -0.742 . . . . 0.0 109.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -44.35 19.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.492 -0.755 . . . . 0.0 109.76 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.34 -42.83 99.33 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.447 -0.783 . . . . 0.0 109.542 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -76.41 -27.59 56.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.489 -0.757 . . . . 0.0 109.341 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.25 51.58 0.8 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 125.23 25.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.971 . . . . 0.0 109.523 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.63 35.73 2.77 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.42 -33.03 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.551 -0.97 . . . . 0.0 109.425 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -48.0 80.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.578 -0.701 . . . . 0.0 109.241 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -70.09 -23.21 63.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.687 -0.633 . . . . 0.0 109.722 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.5 tp -71.53 -31.63 67.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.44 -0.788 . . . . 0.0 109.536 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -75.76 -50.94 13.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.587 -0.696 . . . . 0.0 109.696 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.4 tt -60.55 -32.19 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.547 -0.721 . . . . 0.0 109.641 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -69.2 -34.52 75.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.674 -0.641 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -73.56 -29.52 62.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.597 -0.689 . . . . 0.0 109.695 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -51.83 31.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.523 -0.735 . . . . 0.0 109.639 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.9 -31.49 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.535 -0.728 . . . . 0.0 109.511 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.55 76.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.506 -0.746 . . . . 0.0 109.757 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -34.14 85.48 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.435 HG22 HD11 ' A' ' 15' ' ' ILE . 46.4 mm -66.19 -46.53 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.681 -0.893 . . . . 0.0 109.397 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.27 -27.43 68.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.638 -0.663 . . . . 0.0 109.732 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.25 -38.53 85.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.468 -0.77 . . . . 0.0 109.574 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.46 61.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 109.66 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.7 -45.97 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.466 -0.771 . . . . 0.0 109.593 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.61 -31.6 72.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.547 -0.72 . . . . 0.0 109.457 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.24 38.31 3.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.77 -167.18 0.66 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.647 -0.914 . . . . 0.0 109.62 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -46.67 0.92 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.86 -32.3 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.954 . . . . 0.0 109.486 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -71.26 -47.94 54.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.555 -0.716 . . . . 0.0 109.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.04 -27.47 69.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.562 -0.711 . . . . 0.0 109.704 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -27.06 51.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.747 . . . . 0.0 109.824 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.26 -36.67 63.85 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.571 -0.706 . . . . 0.0 109.952 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD11 HG22 ' A' ' 8' ' ' ILE . 40.4 mm -80.74 -28.58 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.818 . . . . 0.0 109.742 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -78.8 -27.9 44.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.472 -0.768 . . . . 0.0 109.952 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -78.56 -34.18 47.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.749 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.42 79.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.56 -0.713 . . . . 0.0 109.725 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.5 t -70.47 -52.64 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -60.3 -24.59 65.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.545 -0.722 . . . . 0.0 110.081 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.84 55.42 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.38 -33.01 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.547 -0.972 . . . . 0.0 109.575 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.12 -26.14 58.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.518 -0.739 . . . . 0.0 109.845 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.27 -38.35 81.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.408 -0.808 . . . . 0.0 109.642 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -32.42 54.16 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.557 -0.715 . . . . 0.0 109.824 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.74 -60.41 3.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.508 -0.745 . . . . 0.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.7 mp -87.25 12.84 10.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.522 -0.736 . . . . 0.0 110.734 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.21 -59.28 1.39 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.38 -76.01 0.19 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.569 -0.959 . . . . 0.0 109.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.675 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.71 -55.14 0.04 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -70.77 -30.96 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.571 -0.958 . . . . 0.0 109.489 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m -62.65 -59.99 4.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.536 -0.728 . . . . 0.0 109.558 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -60.89 -22.81 64.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.569 -0.707 . . . . 0.0 109.992 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -54.82 34.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.329 -0.857 . . . . 0.0 109.691 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.54 -41.67 97.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.544 -0.723 . . . . 0.0 109.938 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 29.8 mt -63.58 -24.73 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.485 -0.759 . . . . 0.0 109.833 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -28.61 50.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.0 109.728 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -73.96 -32.69 63.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.593 -0.692 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.01 56.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.468 -0.77 . . . . 0.0 109.671 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -76.14 -26.62 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.577 -0.702 . . . . 0.0 109.599 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -74.96 -31.97 61.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.391 -0.818 . . . . 0.0 109.688 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.31 -49.46 26.03 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.3 -41.86 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.485 -1.009 . . . . 0.0 109.515 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -67.45 -25.36 65.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.664 . . . . 0.0 109.731 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.46 -40.23 89.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.443 -0.786 . . . . 0.0 109.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.85 67.11 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.501 -0.749 . . . . 0.0 109.529 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.0 tp -72.82 -29.45 63.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -32.88 72.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.603 -0.686 . . . . 0.0 109.384 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.42 94.47 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 109.89 6.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.623 -0.928 . . . . 0.0 109.577 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.12 -177.7 46.25 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.19 -25.74 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.952 . . . . 0.0 109.637 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -56.81 14.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.448 -0.782 . . . . 0.0 109.753 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -36.1 82.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -25.98 67.88 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.658 -0.651 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.4 -30.47 53.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.697 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.468 HG23 HD11 ' A' ' 8' ' ' ILE . 58.3 mt -72.99 -47.89 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.603 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -49.59 76.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.542 -0.724 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -63.44 -25.19 68.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.634 -0.666 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.74 76.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.2 -0.937 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -68.73 -27.92 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.602 -0.686 . . . . 0.0 109.607 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -74.8 -21.12 59.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.41 -0.806 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.63 9.76 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 tp -64.67 -32.26 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.569 -0.959 . . . . 0.0 109.466 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.1 -40.45 59.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.587 -0.696 . . . . 0.0 109.543 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -23.39 64.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.688 . . . . 0.0 109.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.87 -36.29 42.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 0.0 109.585 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.29 0.71 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.554 -0.716 . . . . 0.0 109.531 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.79 -39.09 93.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.539 -0.726 . . . . 0.0 109.545 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.22 83.42 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.44 -72.94 0.33 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.623 -0.928 . . . . 0.0 109.46 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.22 -47.48 0.05 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.38 -46.39 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.937 . . . . 0.0 109.381 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 m -63.08 -41.94 99.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.534 -0.729 . . . . 0.0 109.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.95 -31.2 72.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.18 -30.97 70.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.592 -0.693 . . . . 0.0 109.537 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.37 -30.79 63.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.717 . . . . 0.0 109.641 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.75 -42.22 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 t -66.25 -42.2 88.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.432 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -62.26 -26.7 68.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.84 67.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.468 -0.77 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.28 -68.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.61 -0.681 . . . . 0.0 109.614 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.68 -20.64 61.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.572 -0.705 . . . . 0.0 110.205 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.8 -49.8 52.36 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.5 -43.91 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.465 -1.021 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -25.78 67.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.543 -0.723 . . . . 0.0 109.624 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -33.12 66.16 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.469 -0.769 . . . . 0.0 109.5 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -24.46 56.78 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.573 -0.704 . . . . 0.0 110.039 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.67 -69.24 0.61 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.467 -0.771 . . . . 0.0 109.773 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.48 -12.34 61.05 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.498 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.18 38.04 3.24 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 88.84 1.47 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.525 -0.985 . . . . 0.0 109.474 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.78 168.01 32.74 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.22 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.984 . . . . 0.0 109.572 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 t -61.14 -48.05 83.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.764 . . . . 0.0 109.728 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.17 -32.28 73.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 109.396 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -25.42 62.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.643 -0.661 . . . . 0.0 109.741 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.07 -46.07 65.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.804 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.66 -33.01 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.742 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -74.69 -27.0 60.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.555 -0.716 . . . . 0.0 109.836 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -84.86 -22.74 29.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.444 -0.785 . . . . 0.0 110.07 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.14 56.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.345 -0.847 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.9 t -81.26 -39.23 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.586 -0.696 . . . . 0.0 109.703 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -73.43 -24.68 60.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.551 -0.718 . . . . 0.0 109.79 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 -44.12 12.07 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 6.3 tp -62.76 -31.46 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.579 -0.954 . . . . 0.0 109.53 -179.841 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.94 -28.68 35.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.61 -0.681 . . . . 0.0 109.537 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.64 -31.67 71.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.57 -0.706 . . . . 0.0 109.493 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.24 -34.6 37.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.727 . . . . 0.0 109.72 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.51 -71.97 0.14 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.555 -0.716 . . . . 0.0 109.567 -179.799 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -24.99 67.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.56 -0.713 . . . . 0.0 109.865 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.2 37.45 3.43 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.41 -57.48 4.4 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.466 -1.02 . . . . 0.0 109.441 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.1 p -65.34 -42.86 92.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.619 -0.675 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -31.03 71.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.573 -0.704 . . . . 0.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -73.2 -27.23 61.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.593 -0.692 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -30.64 53.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.48 -0.763 . . . . 0.0 109.453 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 66.8 mt -69.61 -39.14 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.579 -0.701 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -63.13 -50.6 69.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.564 -0.71 . . . . 0.0 109.512 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -61.14 -30.57 70.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.508 -0.745 . . . . 0.0 109.6 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.98 67.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.727 -0.608 . . . . 0.0 109.603 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -72.98 -25.1 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.491 -0.755 . . . . 0.0 109.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -74.11 -46.05 45.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.55 -44.53 71.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.84 -34.25 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.468 -1.019 . . . . 0.0 109.34 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 16' ' ' LEU . 8.2 mt -67.42 -27.61 67.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.608 -0.682 . . . . 0.0 109.549 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.91 -26.09 34.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.528 -0.733 . . . . 0.0 109.845 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.36 62.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.443 -0.785 . . . . 0.0 109.711 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -47.78 68.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.572 -0.705 . . . . 0.0 109.688 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 109.696 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -54.68 11.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.513 -0.742 . . . . 0.0 109.643 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.07 -29.46 70.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.499 -0.751 . . . . 0.0 109.66 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.4 -28.91 59.64 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.69 -54.78 16.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.59 -0.694 . . . . 0.0 109.376 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.12 -31.86 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.651 -0.656 . . . . 0.0 109.33 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -65.72 -33.37 75.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.579 -0.701 . . . . 0.0 109.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -69.8 -32.1 70.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.582 -0.699 . . . . 0.0 109.523 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.53 79.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.637 -0.664 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.4 t -64.92 -44.34 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.642 -0.661 . . . . 0.0 109.517 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.61 -27.76 68.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.519 -0.738 . . . . 0.0 109.773 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.06 -48.48 53.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.37 -31.03 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.559 -0.965 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -31.08 65.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.507 -0.745 . . . . 0.0 109.459 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -63.06 -47.83 81.24 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.592 -0.693 . . . . 0.0 109.411 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 -25.3 60.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.612 -0.68 . . . . 0.0 109.753 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -74.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.362 -0.836 . . . . 0.0 109.892 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.456 -0.778 . . . . 0.0 109.692 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -47.94 75.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.528 -0.732 . . . . 0.0 109.431 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.01 -50.0 73.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.586 -0.697 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.06 -16.65 63.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.7 -0.625 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 7' ' ' LEU . 8.9 tt -72.0 -46.32 57.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 109.782 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 mm -70.39 -34.67 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.795 . . . . 0.0 109.711 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -62.69 -47.51 83.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.487 -0.758 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -68.72 -24.29 64.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 109.748 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -26.37 64.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.44 -0.788 . . . . 0.0 109.538 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 15' ' ' ILE . 43.0 t -78.18 -50.44 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.481 -0.762 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -18.9 64.7 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 109.886 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.7 -42.46 7.75 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 12' ' ' VAL . 3.7 tt -62.6 -28.54 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.338 -1.096 . . . . 0.0 109.434 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -30.41 27.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.684 -0.635 . . . . 0.0 109.4 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.37 -31.11 70.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.6 -0.687 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.76 -33.41 19.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.7 -26.31 66.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.559 -0.713 . . . . 0.0 109.623 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.379 -0.826 . . . . 0.0 109.64 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -69.72 -48.11 60.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.483 -0.761 . . . . 0.0 109.456 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.17 -26.46 68.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.612 -0.68 . . . . 0.0 109.78 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.87 -31.44 59.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.491 -0.755 . . . . 0.0 109.607 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.62 -58.55 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.549 -0.72 . . . . 0.0 109.465 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.08 -32.88 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.481 -0.762 . . . . 0.0 109.277 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 t -65.3 -30.96 71.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.717 -0.614 . . . . 0.0 109.353 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -73.17 -27.78 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -62.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.551 -0.718 . . . . 0.0 109.652 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.83 -59.36 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.578 -0.701 . . . . 0.0 109.55 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.84 -24.31 61.84 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.592 -0.693 . . . . 0.0 110.124 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.25 -46.36 93.18 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.37 -34.58 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.57 -0.959 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -68.64 -29.39 67.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.603 -0.686 . . . . 0.0 109.618 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -73.66 -29.98 62.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.53 -0.732 . . . . 0.0 109.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.97 44.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.494 -0.754 . . . . 0.0 109.47 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.55 -56.1 8.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.617 -0.677 . . . . 0.0 109.388 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 16' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.521 -0.737 . . . . 0.0 109.457 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -40.32 76.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.585 -0.697 . . . . 0.0 109.504 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 8' ' ' ILE . 3.9 mt-10 -62.99 -40.14 96.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.537 -0.727 . . . . 0.0 109.602 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.6 -25.91 66.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.6 -0.687 . . . . 0.0 109.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 tt -81.26 -25.65 36.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.431 -0.793 . . . . 0.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.1 mt -75.79 -31.04 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.637 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -78.04 -43.79 28.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.506 -0.746 . . . . 0.0 109.622 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 7' ' ' LEU . 8.4 t -68.49 -31.17 70.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.579 -0.701 . . . . 0.0 109.757 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.32 69.94 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.514 -0.741 . . . . 0.0 110.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.8 t -61.6 -64.11 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.757 . . . . 0.0 109.976 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.24 -20.67 59.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.638 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.74 -31.05 50.93 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' VAL . 7.9 mt -74.69 -31.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -1.055 . . . . 0.0 109.566 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.66 28.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.486 -0.759 . . . . 0.0 109.415 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -80.64 -23.79 39.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 109.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.2 10.09 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.829 . . . . 0.0 109.851 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.14 -35.81 79.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.471 -0.768 . . . . 0.0 109.615 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.538 -0.726 . . . . 0.0 109.506 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 t -61.37 -57.69 11.27 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.436 -0.79 . . . . 0.0 109.677 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.34 -23.9 67.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.625 . . . . 0.0 109.927 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.36 -32.26 71.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.433 -0.792 . . . . 0.0 109.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.23 -48.93 30.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 109.681 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.57 -27.95 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.537 -0.727 . . . . 0.0 109.802 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -73.23 -30.25 63.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.466 -0.771 . . . . 0.0 109.715 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -70.85 -42.38 70.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.35 63.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.529 -0.732 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' ILE . 11.2 p -61.87 -27.85 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.607 -0.683 . . . . 0.0 109.66 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -35.27 80.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.477 -0.764 . . . . 0.0 109.464 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.15 -28.1 64.94 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 12' ' ' VAL . 52.9 mt -72.32 -27.29 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.531 -0.982 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mp -77.35 -37.62 51.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.521 -0.737 . . . . 0.0 109.622 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.22 -41.72 99.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.525 -0.734 . . . . 0.0 109.651 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.55 58.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.502 -0.749 . . . . 0.0 109.879 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.87 -39.0 87.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.431 -0.793 . . . . 0.0 109.57 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.543 -0.723 . . . . 0.0 109.237 179.842 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 m -62.59 -49.54 74.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.722 . . . . 0.0 109.309 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 mt-10 -69.71 -21.05 63.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.659 -0.65 . . . . 0.0 109.753 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.66 -39.19 70.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.344 -0.847 . . . . 0.0 109.83 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -71.65 -49.26 41.53 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 109.772 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 5' ' ' GLU . 7.1 tt -63.18 -28.48 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.531 -0.731 . . . . 0.0 109.779 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -68.89 -37.34 78.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.576 -0.703 . . . . 0.0 109.745 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -21.21 37.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.512 -0.742 . . . . 0.0 110.283 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.59 -51.95 11.7 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.312 -0.867 . . . . 0.0 109.92 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.79 -51.34 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.569 -0.707 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -26.84 67.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.552 -0.718 . . . . 0.0 109.992 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.61 -37.77 77.75 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.95 -34.11 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.493 -1.004 . . . . 0.0 109.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -66.92 -30.11 70.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 0.0 109.512 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.68 -38.97 73.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.569 -0.707 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.98 73.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.535 -0.728 . . . . 0.0 109.653 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -28.87 41.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.514 -0.741 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -40.54 72.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.393 -0.817 . . . . 0.0 109.654 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.28 -42.55 79.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.735 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.8 mm? -71.28 -23.87 62.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.613 -0.679 . . . . 0.0 109.972 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.43 -57.97 4.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -62.21 -31.22 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.567 -0.708 . . . . 0.0 109.683 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -64.79 -41.02 96.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.549 -0.719 . . . . 0.0 109.531 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -80.07 -18.39 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.694 -0.629 . . . . 0.0 110.357 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 -61.35 1.89 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -0.906 . . . . 0.0 109.618 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.94 -45.07 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.477 -0.765 . . . . 0.0 109.832 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.46 -26.65 65.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.609 -0.682 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.3 -36.12 88.97 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.43 -41.36 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.567 -0.961 . . . . 0.0 109.585 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.9 mm? -64.44 -28.79 69.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.673 -0.642 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -80.31 -29.35 38.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.57 -0.706 . . . . 0.0 109.514 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.6 60.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.546 -0.721 . . . . 0.0 109.509 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.4 mm? -64.92 -51.74 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.584 -0.697 . . . . 0.0 109.609 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.804 -179.583 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -69.25 -51.79 34.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.548 -0.72 . . . . 0.0 109.454 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.58 -16.86 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.637 -0.664 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -57.31 4.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 109.564 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.24 -44.01 97.53 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 109.889 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.61 -23.06 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.448 -0.782 . . . . 0.0 110.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -80.87 -28.3 36.04 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.326 -0.859 . . . . 0.0 109.662 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -77.81 -26.76 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.503 -0.748 . . . . 0.0 109.784 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.43 -48.01 21.15 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.535 -0.728 . . . . 0.0 109.801 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.88 -53.02 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.493 -0.754 . . . . 0.0 109.585 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.0 -23.49 67.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 110.269 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.74 -36.25 66.64 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.46 -47.35 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -1.012 . . . . 0.0 109.566 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.24 -28.54 69.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.725 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -84.0 -15.95 45.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.512 -0.742 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.9 -51.14 9.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -0.949 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.14 -55.52 5.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.573 -0.704 . . . . 0.0 109.857 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 110.06 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -64.35 -41.53 96.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.632 -0.668 . . . . 0.0 109.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.04 -31.17 71.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 109.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.8 -29.81 66.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.555 -0.716 . . . . 0.0 109.399 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -33.96 74.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 109.582 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 12' ' ' VAL . 41.1 mm -77.65 -27.63 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -79.89 -26.76 40.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.484 -0.76 . . . . 0.0 110.087 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -82.62 -30.68 29.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 -45.15 27.44 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 109.828 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 8' ' ' ILE . 10.0 p -73.71 -32.18 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.484 -0.76 . . . . 0.0 109.776 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -74.79 -33.34 62.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.532 -0.73 . . . . 0.0 109.752 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.57 -40.24 67.26 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.55 -33.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.556 -0.967 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.34 -28.97 64.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.574 -0.704 . . . . 0.0 109.749 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -68.98 -49.09 60.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.725 . . . . 0.0 109.621 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -29.38 69.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.649 -0.657 . . . . 0.0 109.736 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.64 -41.94 99.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.488 -0.758 . . . . 0.0 109.521 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.572 -0.705 . . . . 0.0 109.588 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -64.3 -40.38 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.632 -0.668 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.07 -33.35 75.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.599 -0.688 . . . . 0.0 109.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 6' ' ' LEU . 24.1 mt -76.09 -25.41 55.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.48 -36.63 60.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.403 -0.81 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.3 mt -74.79 -40.25 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.491 -0.755 . . . . 0.0 109.656 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -63.58 -50.1 70.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.554 -0.716 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -68.16 -25.42 65.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.569 -0.707 . . . . 0.0 109.898 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.0 90.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.0 t -66.77 -53.23 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.492 -0.755 . . . . 0.0 109.631 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -19.16 56.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.571 -0.706 . . . . 0.0 110.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.41 -30.98 35.12 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 12' ' ' VAL . 15.7 mt -71.72 -45.31 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.974 . . . . 0.0 109.229 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -64.73 -34.04 77.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.546 -0.721 . . . . 0.0 109.486 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -24.2 49.76 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.56 -0.713 . . . . 0.0 109.798 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.07 60.12 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.481 -0.762 . . . . 0.0 109.707 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.54 -32.22 36.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.547 -0.72 . . . . 0.0 109.509 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -63.01 -61.19 2.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.512 -0.743 . . . . 0.0 109.719 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.48 -32.37 72.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.728 . . . . 0.0 109.86 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.8 tp -64.35 -31.55 72.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.565 -0.71 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -33.54 65.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.606 -0.684 . . . . 0.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.63 -31.64 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -67.99 -55.54 12.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.548 -0.72 . . . . 0.0 109.437 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -62.9 -25.01 68.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.672 -0.642 . . . . 0.0 109.87 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.78 92.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.346 -0.846 . . . . 0.0 109.636 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.23 -53.64 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.49 -0.756 . . . . 0.0 109.478 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -22.5 64.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.603 -0.686 . . . . 0.0 109.942 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.39 -33.71 61.2 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.77 -45.09 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.19 -37.33 87.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.655 -0.653 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -17.39 58.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.082 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 -54.41 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.315 -0.866 . . . . 0.0 109.494 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -32.53 73.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.53 -0.731 . . . . 0.0 109.642 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 109.402 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 6' ' ' LEU . 40.1 t . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -46.33 80.21 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.564 -0.71 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.84 -22.97 64.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.477 -0.765 . . . . 0.0 110.247 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 3' ' ' VAL . 49.5 mt -75.69 -37.61 59.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 10' ' ' THR . 5.1 mp -74.83 -44.67 47.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.453 -0.78 . . . . 0.0 110.064 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.43 -26.98 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -72.7 -45.99 56.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.473 -0.767 . . . . 0.0 109.831 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 7' ' ' LEU . 8.0 t -66.05 -27.27 67.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.567 -0.708 . . . . 0.0 109.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -56.9 10.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.598 -0.689 . . . . 0.0 110.05 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -61.6 -53.4 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.82 -19.7 60.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.42 -41.14 46.05 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -66.66 -50.85 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.527 -0.984 . . . . 0.0 109.489 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.5 -28.28 69.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 109.654 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.75 -39.71 94.95 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.611 -0.68 . . . . 0.0 109.75 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.74 81.34 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.579 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -64.3 0.97 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 109.559 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.45 -0.781 . . . . 0.0 110.856 -179.121 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -62.92 -49.72 73.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.504 -0.747 . . . . 0.0 109.524 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.66 -30.7 71.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 0.0 109.463 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.82 81.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.603 -0.686 . . . . 0.0 109.176 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.62 -36.4 82.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.609 -0.682 . . . . 0.0 109.317 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mm -64.31 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.605 -0.684 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -65.78 -32.47 74.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.554 -0.716 . . . . 0.0 109.245 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -74.06 -23.83 59.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.671 -0.643 . . . . 0.0 109.833 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.59 66.39 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 0.0 109.615 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' ILE . 28.4 t -71.26 -32.58 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.49 -0.756 . . . . 0.0 109.693 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.527 -0.733 . . . . 0.0 109.748 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.0 -43.63 21.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 12' ' ' VAL . 2.9 tt -63.02 -30.68 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.604 -0.939 . . . . 0.0 109.219 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -75.96 -30.03 58.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.545 -0.722 . . . . 0.0 109.296 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.64 -37.2 85.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.484 -0.76 . . . . 0.0 109.414 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.58 27.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.577 -0.702 . . . . 0.0 109.631 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.79 -61.46 2.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.574 -0.704 . . . . 0.0 109.325 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 t -65.67 -63.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.27 -0.894 . . . . 0.0 109.731 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.81 -31.47 72.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.472 -0.767 . . . . 0.0 109.781 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 6' ' ' LEU . 1.3 mm? -72.34 -20.76 61.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.524 -0.735 . . . . 0.0 110.11 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.6 -51.82 10.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.286 -0.884 . . . . 0.0 109.729 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.88 -36.76 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 0.0 109.603 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -65.68 -46.67 78.19 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.541 -0.724 . . . . 0.0 109.659 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -73.38 -15.6 61.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.636 -0.665 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.85 65.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.232 -0.918 . . . . 0.0 109.544 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 t -73.53 -62.39 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.615 -0.678 . . . . 0.0 109.504 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -61.95 -18.76 61.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.638 -0.664 . . . . 0.0 110.337 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.02 -43.67 26.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -64.26 -37.49 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -1.007 . . . . 0.0 109.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -29.49 60.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.452 -0.78 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.79 -25.75 59.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.513 -0.742 . . . . 0.0 109.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -44.35 19.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.492 -0.755 . . . . 0.0 109.76 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.34 -42.83 99.33 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.447 -0.783 . . . . 0.0 109.542 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.6 mm? . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.489 -0.757 . . . . 0.0 109.341 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -48.0 80.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.578 -0.701 . . . . 0.0 109.241 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HA ' HG22 ' A' ' 8' ' ' ILE . 12.0 mm-40 -70.09 -23.21 63.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.687 -0.633 . . . . 0.0 109.722 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 6' ' ' LEU . 3.5 tp -71.53 -31.63 67.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.44 -0.788 . . . . 0.0 109.536 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -75.76 -50.94 13.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.587 -0.696 . . . . 0.0 109.696 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.438 HG22 ' HA ' ' A' ' 5' ' ' GLU . 4.4 tt -60.55 -32.19 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.547 -0.721 . . . . 0.0 109.641 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -69.2 -34.52 75.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.674 -0.641 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -73.56 -29.52 62.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.597 -0.689 . . . . 0.0 109.695 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -51.83 31.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.523 -0.735 . . . . 0.0 109.639 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.9 -31.49 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.535 -0.728 . . . . 0.0 109.511 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.55 76.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.506 -0.746 . . . . 0.0 109.757 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -34.14 85.48 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.19 -46.53 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.681 -0.893 . . . . 0.0 109.397 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.5 mm? -61.27 -27.43 68.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.638 -0.663 . . . . 0.0 109.732 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.25 -38.53 85.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.468 -0.77 . . . . 0.0 109.574 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.46 61.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 109.66 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.7 -45.97 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.466 -0.771 . . . . 0.0 109.593 -179.718 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.547 -0.72 . . . . 0.0 109.457 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -71.26 -47.94 54.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.555 -0.716 . . . . 0.0 109.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.04 -27.47 69.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.562 -0.711 . . . . 0.0 109.704 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -27.06 51.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.747 . . . . 0.0 109.824 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.26 -36.67 63.85 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.571 -0.706 . . . . 0.0 109.952 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' VAL . 40.4 mm -80.74 -28.58 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.818 . . . . 0.0 109.742 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -78.8 -27.9 44.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.472 -0.768 . . . . 0.0 109.952 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -78.56 -34.18 47.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.749 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.42 79.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.56 -0.713 . . . . 0.0 109.725 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 39.5 t -70.47 -52.64 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -60.3 -24.59 65.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.545 -0.722 . . . . 0.0 110.081 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.84 55.42 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.38 -33.01 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.547 -0.972 . . . . 0.0 109.575 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.12 -26.14 58.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.518 -0.739 . . . . 0.0 109.845 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.27 -38.35 81.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.408 -0.808 . . . . 0.0 109.642 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -32.42 54.16 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.557 -0.715 . . . . 0.0 109.824 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.74 -60.41 3.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.508 -0.745 . . . . 0.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 20' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.522 -0.736 . . . . 0.0 110.734 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m -62.65 -59.99 4.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.536 -0.728 . . . . 0.0 109.558 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 mm-40 -60.89 -22.81 64.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.569 -0.707 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -54.82 34.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.329 -0.857 . . . . 0.0 109.691 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.54 -41.67 97.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.544 -0.723 . . . . 0.0 109.938 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.8 mt -63.58 -24.73 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.485 -0.759 . . . . 0.0 109.833 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -28.61 50.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.0 109.728 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -73.96 -32.69 63.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.593 -0.692 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.01 56.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.468 -0.77 . . . . 0.0 109.671 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 8' ' ' ILE . 41.8 t -76.14 -26.62 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.577 -0.702 . . . . 0.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -74.96 -31.97 61.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.391 -0.818 . . . . 0.0 109.688 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.31 -49.46 26.03 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.3 -41.86 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.485 -1.009 . . . . 0.0 109.515 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 12' ' ' VAL . 2.2 mp -67.45 -25.36 65.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.664 . . . . 0.0 109.731 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.46 -40.23 89.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.443 -0.786 . . . . 0.0 109.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.85 67.11 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.501 -0.749 . . . . 0.0 109.529 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.0 tp -72.82 -29.45 63.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.603 -0.686 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -56.81 14.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.448 -0.782 . . . . 0.0 109.753 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -36.1 82.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -25.98 67.88 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.658 -0.651 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.4 -30.47 53.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.697 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.99 -47.89 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.603 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -49.59 76.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.542 -0.724 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -63.44 -25.19 68.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.634 -0.666 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.74 76.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.2 -0.937 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 15' ' ' ILE . 33.5 t -68.73 -27.92 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.602 -0.686 . . . . 0.0 109.607 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -74.8 -21.12 59.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.41 -0.806 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.63 9.76 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -64.67 -32.26 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.569 -0.959 . . . . 0.0 109.466 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.1 -40.45 59.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.587 -0.696 . . . . 0.0 109.543 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -23.39 64.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.688 . . . . 0.0 109.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.87 -36.29 42.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 0.0 109.585 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.29 0.71 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.554 -0.716 . . . . 0.0 109.531 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 20' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.539 -0.726 . . . . 0.0 109.545 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 m -63.08 -41.94 99.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.534 -0.729 . . . . 0.0 109.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.95 -31.2 72.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.18 -30.97 70.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.592 -0.693 . . . . 0.0 109.537 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.37 -30.79 63.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.717 . . . . 0.0 109.641 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.75 -42.22 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 t -66.25 -42.2 88.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.432 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -62.26 -26.7 68.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.84 67.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.468 -0.77 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.28 -68.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.61 -0.681 . . . . 0.0 109.614 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.68 -20.64 61.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.572 -0.705 . . . . 0.0 110.205 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.8 -49.8 52.36 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.5 -43.91 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.465 -1.021 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -25.78 67.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.543 -0.723 . . . . 0.0 109.624 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -33.12 66.16 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.469 -0.769 . . . . 0.0 109.5 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -24.46 56.78 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.573 -0.704 . . . . 0.0 110.039 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.67 -69.24 0.61 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.467 -0.771 . . . . 0.0 109.773 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.498 -179.679 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 t -61.14 -48.05 83.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.764 . . . . 0.0 109.728 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.17 -32.28 73.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 109.396 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -25.42 62.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.643 -0.661 . . . . 0.0 109.741 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.07 -46.07 65.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.804 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.66 -33.01 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.742 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -74.69 -27.0 60.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.555 -0.716 . . . . 0.0 109.836 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -84.86 -22.74 29.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.444 -0.785 . . . . 0.0 110.07 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.14 56.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.345 -0.847 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 15' ' ' ILE . 29.9 t -81.26 -39.23 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.586 -0.696 . . . . 0.0 109.703 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -73.43 -24.68 60.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.551 -0.718 . . . . 0.0 109.79 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 -44.12 12.07 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 12' ' ' VAL . 6.3 tp -62.76 -31.46 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.579 -0.954 . . . . 0.0 109.53 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.94 -28.68 35.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.61 -0.681 . . . . 0.0 109.537 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.64 -31.67 71.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.57 -0.706 . . . . 0.0 109.493 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.24 -34.6 37.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.727 . . . . 0.0 109.72 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.51 -71.97 0.14 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.555 -0.716 . . . . 0.0 109.567 -179.799 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.56 -0.713 . . . . 0.0 109.865 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.613 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.05 93.95 0.68 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.45 -30.53 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.567 -0.961 . . . . 0.0 109.437 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.1 p -65.34 -42.86 92.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.619 -0.675 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -31.03 71.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.573 -0.704 . . . . 0.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -73.2 -27.23 61.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.593 -0.692 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -30.64 53.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.48 -0.763 . . . . 0.0 109.453 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 66.8 mt -69.61 -39.14 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.579 -0.701 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -63.13 -50.6 69.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.564 -0.71 . . . . 0.0 109.512 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -61.14 -30.57 70.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.508 -0.745 . . . . 0.0 109.6 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.98 67.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.727 -0.608 . . . . 0.0 109.603 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -72.98 -25.1 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.491 -0.755 . . . . 0.0 109.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -74.11 -46.05 45.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.55 -44.53 71.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.84 -34.25 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.468 -1.019 . . . . 0.0 109.34 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 16' ' ' LEU . 8.2 mt -67.42 -27.61 67.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.608 -0.682 . . . . 0.0 109.549 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.91 -26.09 34.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.528 -0.733 . . . . 0.0 109.845 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.36 62.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.443 -0.785 . . . . 0.0 109.711 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -47.78 68.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.572 -0.705 . . . . 0.0 109.688 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.14 68.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 109.696 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.18 -33.65 44.05 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.78 -68.99 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.611 -0.934 . . . . 0.0 109.508 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.766 -1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.647 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.84 139.33 2.73 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.08 -27.11 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.614 -0.933 . . . . 0.0 109.651 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -54.68 11.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.513 -0.742 . . . . 0.0 109.643 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.07 -29.46 70.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.499 -0.751 . . . . 0.0 109.66 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.4 -28.91 59.64 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.69 -54.78 16.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.59 -0.694 . . . . 0.0 109.376 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.12 -31.86 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.651 -0.656 . . . . 0.0 109.33 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -65.72 -33.37 75.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.579 -0.701 . . . . 0.0 109.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -69.8 -32.1 70.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.582 -0.699 . . . . 0.0 109.523 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.53 79.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.637 -0.664 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.4 t -64.92 -44.34 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.642 -0.661 . . . . 0.0 109.517 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.61 -27.76 68.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.519 -0.738 . . . . 0.0 109.773 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.06 -48.48 53.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.37 -31.03 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.559 -0.965 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -31.08 65.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.507 -0.745 . . . . 0.0 109.459 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -63.06 -47.83 81.24 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.592 -0.693 . . . . 0.0 109.411 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 -25.3 60.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.612 -0.68 . . . . 0.0 109.753 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -74.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.362 -0.836 . . . . 0.0 109.892 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -33.13 75.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.456 -0.778 . . . . 0.0 109.692 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.95 37.05 43.89 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 138.47 37.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.588 -0.948 . . . . 0.0 109.559 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.652 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.8 54.78 0.97 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.86 -30.53 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.531 -0.981 . . . . 0.0 109.444 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -47.94 75.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.528 -0.732 . . . . 0.0 109.431 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.01 -50.0 73.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.586 -0.697 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.06 -16.65 63.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.7 -0.625 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 7' ' ' LEU . 8.9 tt -72.0 -46.32 57.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 109.782 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 mm -70.39 -34.67 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.795 . . . . 0.0 109.711 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -62.69 -47.51 83.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.487 -0.758 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -68.72 -24.29 64.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 109.748 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -26.37 64.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.44 -0.788 . . . . 0.0 109.538 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 15' ' ' ILE . 43.0 t -78.18 -50.44 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.481 -0.762 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -18.9 64.7 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 109.886 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.7 -42.46 7.75 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 12' ' ' VAL . 3.7 tt -62.6 -28.54 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.338 -1.096 . . . . 0.0 109.434 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -30.41 27.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.684 -0.635 . . . . 0.0 109.4 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.37 -31.11 70.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.6 -0.687 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.76 -33.41 19.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.7 -26.31 66.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.559 -0.713 . . . . 0.0 109.623 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -60.8 3.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.379 -0.826 . . . . 0.0 109.64 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.81 -39.96 0.82 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.504 -0.997 . . . . 0.0 109.351 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.65 52.94 0.19 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 t -71.58 -29.99 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.59 -0.947 . . . . 0.0 109.549 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -69.72 -48.11 60.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.483 -0.761 . . . . 0.0 109.456 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.17 -26.46 68.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.612 -0.68 . . . . 0.0 109.78 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.87 -31.44 59.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.491 -0.755 . . . . 0.0 109.607 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.62 -58.55 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.549 -0.72 . . . . 0.0 109.465 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.08 -32.88 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.481 -0.762 . . . . 0.0 109.277 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 t -65.3 -30.96 71.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.717 -0.614 . . . . 0.0 109.353 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -73.17 -27.78 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -62.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.551 -0.718 . . . . 0.0 109.652 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.83 -59.36 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.578 -0.701 . . . . 0.0 109.55 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.84 -24.31 61.84 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.592 -0.693 . . . . 0.0 110.124 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.25 -46.36 93.18 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.37 -34.58 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.57 -0.959 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -68.64 -29.39 67.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.603 -0.686 . . . . 0.0 109.618 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -73.66 -29.98 62.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.53 -0.732 . . . . 0.0 109.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.97 44.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.494 -0.754 . . . . 0.0 109.47 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.55 -56.1 8.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.617 -0.677 . . . . 0.0 109.388 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 16' ' ' LEU . 4.1 mm? -63.53 -39.57 94.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.521 -0.737 . . . . 0.0 109.457 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 31.17 80.04 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.59 116.06 19.57 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.63 -0.924 . . . . 0.0 109.488 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.97 -41.9 1.82 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.89 -30.56 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.514 -0.991 . . . . 0.0 109.347 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -40.32 76.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.585 -0.697 . . . . 0.0 109.504 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 8' ' ' ILE . 3.9 mt-10 -62.99 -40.14 96.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.537 -0.727 . . . . 0.0 109.602 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.6 -25.91 66.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.6 -0.687 . . . . 0.0 109.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 tt -81.26 -25.65 36.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.431 -0.793 . . . . 0.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.1 mt -75.79 -31.04 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.637 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -78.04 -43.79 28.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.506 -0.746 . . . . 0.0 109.622 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 7' ' ' LEU . 8.4 t -68.49 -31.17 70.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.579 -0.701 . . . . 0.0 109.757 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.32 69.94 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.514 -0.741 . . . . 0.0 110.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.8 t -61.6 -64.11 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.757 . . . . 0.0 109.976 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.24 -20.67 59.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.638 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.74 -31.05 50.93 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' VAL . 7.9 mt -74.69 -31.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -1.055 . . . . 0.0 109.566 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.66 28.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.486 -0.759 . . . . 0.0 109.415 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -80.64 -23.79 39.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 109.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.2 10.09 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.829 . . . . 0.0 109.851 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.14 -35.81 79.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.471 -0.768 . . . . 0.0 109.615 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.4 -51.81 66.09 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.538 -0.726 . . . . 0.0 109.506 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.01 -44.93 1.39 Allowed Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.6 83.52 7.99 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.61 -0.936 . . . . 0.0 109.514 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.637 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.07 115.41 0.48 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.75 -28.54 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.639 -0.918 . . . . 0.0 109.42 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 t -61.37 -57.69 11.27 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.436 -0.79 . . . . 0.0 109.677 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.34 -23.9 67.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.625 . . . . 0.0 109.927 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.36 -32.26 71.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.433 -0.792 . . . . 0.0 109.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.23 -48.93 30.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 109.681 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.57 -27.95 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.537 -0.727 . . . . 0.0 109.802 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -73.23 -30.25 63.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.466 -0.771 . . . . 0.0 109.715 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -70.85 -42.38 70.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.35 63.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.529 -0.732 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' ILE . 11.2 p -61.87 -27.85 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.607 -0.683 . . . . 0.0 109.66 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -35.27 80.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.477 -0.764 . . . . 0.0 109.464 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.15 -28.1 64.94 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 12' ' ' VAL . 52.9 mt -72.32 -27.29 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.531 -0.982 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mp -77.35 -37.62 51.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.521 -0.737 . . . . 0.0 109.622 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.22 -41.72 99.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.525 -0.734 . . . . 0.0 109.651 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.55 58.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.502 -0.749 . . . . 0.0 109.879 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.87 -39.0 87.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.431 -0.793 . . . . 0.0 109.57 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.16 -52.58 61.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.543 -0.723 . . . . 0.0 109.237 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.22 -47.16 0.84 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 -27.02 68.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.579 -0.953 . . . . 0.0 109.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.89 47.39 0.72 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.17 -29.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.635 -0.921 . . . . 0.0 109.425 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 m -62.59 -49.54 74.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.722 . . . . 0.0 109.309 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 mt-10 -69.71 -21.05 63.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.659 -0.65 . . . . 0.0 109.753 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.66 -39.19 70.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.344 -0.847 . . . . 0.0 109.83 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -71.65 -49.26 41.53 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 109.772 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 5' ' ' GLU . 7.1 tt -63.18 -28.48 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.531 -0.731 . . . . 0.0 109.779 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -68.89 -37.34 78.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.576 -0.703 . . . . 0.0 109.745 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -21.21 37.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.512 -0.742 . . . . 0.0 110.283 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.59 -51.95 11.7 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.312 -0.867 . . . . 0.0 109.92 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.79 -51.34 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.569 -0.707 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -26.84 67.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.552 -0.718 . . . . 0.0 109.992 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.61 -37.77 77.75 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.95 -34.11 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.493 -1.004 . . . . 0.0 109.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -66.92 -30.11 70.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 0.0 109.512 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.68 -38.97 73.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.569 -0.707 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.98 73.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.535 -0.728 . . . . 0.0 109.653 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -28.87 41.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.514 -0.741 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.06 -57.51 10.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.69 -50.8 39.86 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.16 -162.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.56 -0.965 . . . . 0.0 109.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.57 83.99 0.36 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.34 -25.02 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.629 -0.924 . . . . 0.0 109.726 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -40.54 72.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.393 -0.817 . . . . 0.0 109.654 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.28 -42.55 79.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.735 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.8 mm? -71.28 -23.87 62.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.613 -0.679 . . . . 0.0 109.972 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.43 -57.97 4.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -62.21 -31.22 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.567 -0.708 . . . . 0.0 109.683 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -64.79 -41.02 96.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.549 -0.719 . . . . 0.0 109.531 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -80.07 -18.39 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.694 -0.629 . . . . 0.0 110.357 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 -61.35 1.89 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -0.906 . . . . 0.0 109.618 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.94 -45.07 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.477 -0.765 . . . . 0.0 109.832 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.46 -26.65 65.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.609 -0.682 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.3 -36.12 88.97 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.43 -41.36 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.567 -0.961 . . . . 0.0 109.585 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.9 mm? -64.44 -28.79 69.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.673 -0.642 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -80.31 -29.35 38.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.57 -0.706 . . . . 0.0 109.514 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.6 60.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.546 -0.721 . . . . 0.0 109.509 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.4 mm? -64.92 -51.74 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.584 -0.697 . . . . 0.0 109.609 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt -87.74 15.44 6.95 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.804 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -30.41 75.29 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.27 121.25 22.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.559 -0.965 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.633 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.74 -38.96 0.06 OUTLIER Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.48 -32.12 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.584 -0.951 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -69.25 -51.79 34.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.548 -0.72 . . . . 0.0 109.454 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.58 -16.86 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.637 -0.664 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -57.31 4.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 109.564 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.24 -44.01 97.53 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 109.889 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.61 -23.06 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.448 -0.782 . . . . 0.0 110.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -80.87 -28.3 36.04 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.326 -0.859 . . . . 0.0 109.662 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -77.81 -26.76 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.503 -0.748 . . . . 0.0 109.784 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.43 -48.01 21.15 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.535 -0.728 . . . . 0.0 109.801 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.88 -53.02 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.493 -0.754 . . . . 0.0 109.585 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.0 -23.49 67.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 110.269 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.74 -36.25 66.64 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.46 -47.35 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -1.012 . . . . 0.0 109.566 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.24 -28.54 69.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.725 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -84.0 -15.95 45.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.512 -0.742 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.9 -51.14 9.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -0.949 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.14 -55.52 5.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.573 -0.704 . . . . 0.0 109.857 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -24.44 57.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 110.06 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.44 47.25 1.06 Allowed Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.636 -1.385 . . . . 0.0 109.636 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.93 85.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.987 . . . . 0.0 109.571 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.574 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.39 -95.18 1.12 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -63.59 -37.62 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.537 -0.978 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -64.35 -41.53 96.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.632 -0.668 . . . . 0.0 109.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.04 -31.17 71.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 109.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.8 -29.81 66.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.555 -0.716 . . . . 0.0 109.399 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -33.96 74.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 109.582 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 12' ' ' VAL . 41.1 mm -77.65 -27.63 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -79.89 -26.76 40.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.484 -0.76 . . . . 0.0 110.087 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -82.62 -30.68 29.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 -45.15 27.44 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 109.828 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 8' ' ' ILE . 10.0 p -73.71 -32.18 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.484 -0.76 . . . . 0.0 109.776 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -74.79 -33.34 62.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.532 -0.73 . . . . 0.0 109.752 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.57 -40.24 67.26 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.55 -33.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.556 -0.967 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.34 -28.97 64.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.574 -0.704 . . . . 0.0 109.749 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -68.98 -49.09 60.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.725 . . . . 0.0 109.621 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -29.38 69.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.649 -0.657 . . . . 0.0 109.736 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.64 -41.94 99.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.488 -0.758 . . . . 0.0 109.521 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.82 -29.59 67.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.572 -0.705 . . . . 0.0 109.588 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.54 54.54 0.78 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.02 47.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.622 -0.928 . . . . 0.0 109.445 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.673 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.71 -72.23 0.46 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.7 t -68.34 -33.19 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.593 -0.945 . . . . 0.0 109.541 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -64.3 -40.38 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.632 -0.668 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.07 -33.35 75.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.599 -0.688 . . . . 0.0 109.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 6' ' ' LEU . 24.1 mt -76.09 -25.41 55.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.48 -36.63 60.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.403 -0.81 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.3 mt -74.79 -40.25 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.491 -0.755 . . . . 0.0 109.656 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -63.58 -50.1 70.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.554 -0.716 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -68.16 -25.42 65.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.569 -0.707 . . . . 0.0 109.898 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.0 90.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.0 t -66.77 -53.23 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.492 -0.755 . . . . 0.0 109.631 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -19.16 56.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.571 -0.706 . . . . 0.0 110.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.41 -30.98 35.12 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 12' ' ' VAL . 15.7 mt -71.72 -45.31 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.974 . . . . 0.0 109.229 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -64.73 -34.04 77.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.546 -0.721 . . . . 0.0 109.486 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -24.2 49.76 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.56 -0.713 . . . . 0.0 109.798 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.07 60.12 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.481 -0.762 . . . . 0.0 109.707 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.54 -32.22 36.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -45.51 72.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.547 -0.72 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.29 -53.86 12.53 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.03 162.16 26.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.576 -0.955 . . . . 0.0 109.387 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.65 87.91 0.17 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.3 t -75.08 -27.92 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.567 -0.961 . . . . 0.0 109.644 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -63.01 -61.19 2.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.512 -0.743 . . . . 0.0 109.719 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.48 -32.37 72.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.728 . . . . 0.0 109.86 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.8 tp -64.35 -31.55 72.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.565 -0.71 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -33.54 65.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.606 -0.684 . . . . 0.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.63 -31.64 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -67.99 -55.54 12.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.548 -0.72 . . . . 0.0 109.437 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -62.9 -25.01 68.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.672 -0.642 . . . . 0.0 109.87 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.78 92.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.346 -0.846 . . . . 0.0 109.636 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.23 -53.64 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.49 -0.756 . . . . 0.0 109.478 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -22.5 64.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.603 -0.686 . . . . 0.0 109.942 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.39 -33.71 61.2 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.77 -45.09 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.19 -37.33 87.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.655 -0.653 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -17.39 58.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.082 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 -54.41 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.315 -0.866 . . . . 0.0 109.494 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -32.53 73.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.53 -0.731 . . . . 0.0 109.642 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -74.93 -29.74 61.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 109.402 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.95 50.75 0.86 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.52 168.33 6.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.942 . . . . 0.0 109.428 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.821 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.97 94.21 0.62 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 6' ' ' LEU . 40.1 t -71.77 -31.52 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.573 -0.957 . . . . 0.0 109.435 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -46.33 80.21 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.564 -0.71 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.84 -22.97 64.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.477 -0.765 . . . . 0.0 110.247 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 3' ' ' VAL . 49.5 mt -75.69 -37.61 59.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 10' ' ' THR . 5.1 mp -74.83 -44.67 47.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.453 -0.78 . . . . 0.0 110.064 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.43 -26.98 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -72.7 -45.99 56.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.473 -0.767 . . . . 0.0 109.831 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 7' ' ' LEU . 8.0 t -66.05 -27.27 67.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.567 -0.708 . . . . 0.0 109.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -56.9 10.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.598 -0.689 . . . . 0.0 110.05 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -61.6 -53.4 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.82 -19.7 60.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.42 -41.14 46.05 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -66.66 -50.85 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.527 -0.984 . . . . 0.0 109.489 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.5 -28.28 69.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 109.654 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.75 -39.71 94.95 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.611 -0.68 . . . . 0.0 109.75 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.74 81.34 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.579 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -64.3 0.97 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 109.559 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -89.38 22.1 3.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.45 -0.781 . . . . 0.0 110.856 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.52 -29.0 68.48 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.53 118.95 20.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.561 -0.964 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.671 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.27 -41.5 0.5 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 t -65.25 -34.66 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.581 -0.953 . . . . 0.0 109.403 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -62.92 -49.72 73.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.504 -0.747 . . . . 0.0 109.524 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.66 -30.7 71.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 0.0 109.463 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.82 81.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.603 -0.686 . . . . 0.0 109.176 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.62 -36.4 82.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.609 -0.682 . . . . 0.0 109.317 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mm -64.31 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.605 -0.684 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -65.78 -32.47 74.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.554 -0.716 . . . . 0.0 109.245 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -74.06 -23.83 59.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.671 -0.643 . . . . 0.0 109.833 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.59 66.39 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 0.0 109.615 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' ILE . 28.4 t -71.26 -32.58 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.49 -0.756 . . . . 0.0 109.693 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.527 -0.733 . . . . 0.0 109.748 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.0 -43.63 21.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 12' ' ' VAL . 2.9 tt -63.02 -30.68 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.604 -0.939 . . . . 0.0 109.219 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -75.96 -30.03 58.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.545 -0.722 . . . . 0.0 109.296 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.64 -37.2 85.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.484 -0.76 . . . . 0.0 109.414 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.58 27.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.577 -0.702 . . . . 0.0 109.631 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.79 -61.46 2.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.97 -45.03 83.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.574 -0.704 . . . . 0.0 109.325 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.59 -31.87 8.22 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -73.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.54 -0.976 . . . . 0.0 109.523 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.02 157.96 20.1 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 t -72.59 -15.67 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.55 -0.971 . . . . 0.0 110.207 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 t -65.67 -63.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.27 -0.894 . . . . 0.0 109.731 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.81 -31.47 72.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.472 -0.767 . . . . 0.0 109.781 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 6' ' ' LEU . 1.3 mm? -72.34 -20.76 61.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.524 -0.735 . . . . 0.0 110.11 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.6 -51.82 10.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.286 -0.884 . . . . 0.0 109.729 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.88 -36.76 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 0.0 109.603 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -65.68 -46.67 78.19 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.541 -0.724 . . . . 0.0 109.659 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -73.38 -15.6 61.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.636 -0.665 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.85 65.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.232 -0.918 . . . . 0.0 109.544 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 t -73.53 -62.39 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.615 -0.678 . . . . 0.0 109.504 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -61.95 -18.76 61.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.638 -0.664 . . . . 0.0 110.337 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.02 -43.67 26.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -64.26 -37.49 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -1.007 . . . . 0.0 109.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -29.49 60.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.452 -0.78 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.79 -25.75 59.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.513 -0.742 . . . . 0.0 109.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -44.35 19.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.492 -0.755 . . . . 0.0 109.76 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.34 -42.83 99.33 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.447 -0.783 . . . . 0.0 109.542 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.6 mm? -76.41 -27.59 56.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.489 -0.757 . . . . 0.0 109.341 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.25 51.58 0.8 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 125.23 25.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.971 . . . . 0.0 109.523 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.63 35.73 2.77 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.42 -33.03 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.551 -0.97 . . . . 0.0 109.425 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -48.0 80.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.578 -0.701 . . . . 0.0 109.241 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HA ' HG22 ' A' ' 8' ' ' ILE . 12.0 mm-40 -70.09 -23.21 63.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.687 -0.633 . . . . 0.0 109.722 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 6' ' ' LEU . 3.5 tp -71.53 -31.63 67.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.44 -0.788 . . . . 0.0 109.536 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -75.76 -50.94 13.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.587 -0.696 . . . . 0.0 109.696 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG22 ' HA ' ' A' ' 5' ' ' GLU . 4.4 tt -60.55 -32.19 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.547 -0.721 . . . . 0.0 109.641 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -69.2 -34.52 75.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.674 -0.641 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -73.56 -29.52 62.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.597 -0.689 . . . . 0.0 109.695 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -51.83 31.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.523 -0.735 . . . . 0.0 109.639 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.9 -31.49 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.535 -0.728 . . . . 0.0 109.511 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.55 76.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.506 -0.746 . . . . 0.0 109.757 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -34.14 85.48 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.19 -46.53 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.681 -0.893 . . . . 0.0 109.397 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.5 mm? -61.27 -27.43 68.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.638 -0.663 . . . . 0.0 109.732 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.25 -38.53 85.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.468 -0.77 . . . . 0.0 109.574 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.46 61.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 109.66 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.7 -45.97 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.466 -0.771 . . . . 0.0 109.593 -179.718 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.61 -31.6 72.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.547 -0.72 . . . . 0.0 109.457 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.24 38.31 3.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.77 -167.18 0.66 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.647 -0.914 . . . . 0.0 109.62 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -46.67 0.92 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.86 -32.3 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.954 . . . . 0.0 109.486 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -71.26 -47.94 54.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.555 -0.716 . . . . 0.0 109.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.04 -27.47 69.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.562 -0.711 . . . . 0.0 109.704 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -27.06 51.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.747 . . . . 0.0 109.824 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.26 -36.67 63.85 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.571 -0.706 . . . . 0.0 109.952 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' VAL . 40.4 mm -80.74 -28.58 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.818 . . . . 0.0 109.742 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -78.8 -27.9 44.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.472 -0.768 . . . . 0.0 109.952 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -78.56 -34.18 47.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.749 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.42 79.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.56 -0.713 . . . . 0.0 109.725 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 39.5 t -70.47 -52.64 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -60.3 -24.59 65.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.545 -0.722 . . . . 0.0 110.081 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.84 55.42 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.38 -33.01 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.547 -0.972 . . . . 0.0 109.575 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.12 -26.14 58.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.518 -0.739 . . . . 0.0 109.845 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.27 -38.35 81.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.408 -0.808 . . . . 0.0 109.642 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -32.42 54.16 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.557 -0.715 . . . . 0.0 109.824 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.74 -60.41 3.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.508 -0.745 . . . . 0.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 20' ' ' LEU . 10.7 mp -87.25 12.84 10.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.522 -0.736 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.21 -59.28 1.39 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.38 -76.01 0.19 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.569 -0.959 . . . . 0.0 109.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.675 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.71 -55.14 0.04 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -70.77 -30.96 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.571 -0.958 . . . . 0.0 109.489 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m -62.65 -59.99 4.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.536 -0.728 . . . . 0.0 109.558 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 mm-40 -60.89 -22.81 64.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.569 -0.707 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -54.82 34.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.329 -0.857 . . . . 0.0 109.691 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.54 -41.67 97.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.544 -0.723 . . . . 0.0 109.938 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.8 mt -63.58 -24.73 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.485 -0.759 . . . . 0.0 109.833 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -28.61 50.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.0 109.728 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -73.96 -32.69 63.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.593 -0.692 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.01 56.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.468 -0.77 . . . . 0.0 109.671 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 8' ' ' ILE . 41.8 t -76.14 -26.62 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.577 -0.702 . . . . 0.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -74.96 -31.97 61.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.391 -0.818 . . . . 0.0 109.688 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.31 -49.46 26.03 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.3 -41.86 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.485 -1.009 . . . . 0.0 109.515 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 12' ' ' VAL . 2.2 mp -67.45 -25.36 65.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.664 . . . . 0.0 109.731 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.46 -40.23 89.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.443 -0.786 . . . . 0.0 109.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.85 67.11 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.501 -0.749 . . . . 0.0 109.529 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.0 tp -72.82 -29.45 63.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -32.88 72.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.603 -0.686 . . . . 0.0 109.384 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.42 94.47 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 109.89 6.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.623 -0.928 . . . . 0.0 109.577 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.12 -177.7 46.25 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.19 -25.74 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.952 . . . . 0.0 109.637 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -56.81 14.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.448 -0.782 . . . . 0.0 109.753 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -36.1 82.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -25.98 67.88 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.658 -0.651 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.4 -30.47 53.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.697 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.99 -47.89 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.603 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -49.59 76.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.542 -0.724 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -63.44 -25.19 68.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.634 -0.666 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.74 76.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.2 -0.937 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 15' ' ' ILE . 33.5 t -68.73 -27.92 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.602 -0.686 . . . . 0.0 109.607 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -74.8 -21.12 59.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.41 -0.806 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.63 9.76 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -64.67 -32.26 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.569 -0.959 . . . . 0.0 109.466 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.1 -40.45 59.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.587 -0.696 . . . . 0.0 109.543 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -23.39 64.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.688 . . . . 0.0 109.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.87 -36.29 42.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 0.0 109.585 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.29 0.71 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.554 -0.716 . . . . 0.0 109.531 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.468 ' HA ' HD13 ' A' ' 20' ' ' LEU . 3.8 mm? -62.79 -39.09 93.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.539 -0.726 . . . . 0.0 109.545 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.22 83.42 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.44 -72.94 0.33 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.623 -0.928 . . . . 0.0 109.46 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.22 -47.48 0.05 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.38 -46.39 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.937 . . . . 0.0 109.381 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 m -63.08 -41.94 99.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.534 -0.729 . . . . 0.0 109.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.95 -31.2 72.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.18 -30.97 70.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.592 -0.693 . . . . 0.0 109.537 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.37 -30.79 63.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.717 . . . . 0.0 109.641 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.75 -42.22 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 t -66.25 -42.2 88.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.432 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -62.26 -26.7 68.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.84 67.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.468 -0.77 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.28 -68.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.61 -0.681 . . . . 0.0 109.614 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.68 -20.64 61.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.572 -0.705 . . . . 0.0 110.205 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.8 -49.8 52.36 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.5 -43.91 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.465 -1.021 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -25.78 67.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.543 -0.723 . . . . 0.0 109.624 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -33.12 66.16 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.469 -0.769 . . . . 0.0 109.5 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -24.46 56.78 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.573 -0.704 . . . . 0.0 110.039 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.67 -69.24 0.61 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.467 -0.771 . . . . 0.0 109.773 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.48 -12.34 61.05 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.498 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.18 38.04 3.24 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 88.84 1.47 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.525 -0.985 . . . . 0.0 109.474 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.78 168.01 32.74 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.22 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.984 . . . . 0.0 109.572 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 t -61.14 -48.05 83.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.764 . . . . 0.0 109.728 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.17 -32.28 73.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 109.396 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -25.42 62.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.643 -0.661 . . . . 0.0 109.741 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.07 -46.07 65.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.804 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.66 -33.01 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.742 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -74.69 -27.0 60.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.555 -0.716 . . . . 0.0 109.836 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -84.86 -22.74 29.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.444 -0.785 . . . . 0.0 110.07 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.14 56.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.345 -0.847 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 15' ' ' ILE . 29.9 t -81.26 -39.23 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.586 -0.696 . . . . 0.0 109.703 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -73.43 -24.68 60.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.551 -0.718 . . . . 0.0 109.79 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 -44.12 12.07 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 12' ' ' VAL . 6.3 tp -62.76 -31.46 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.579 -0.954 . . . . 0.0 109.53 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.94 -28.68 35.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.61 -0.681 . . . . 0.0 109.537 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.64 -31.67 71.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.57 -0.706 . . . . 0.0 109.493 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.24 -34.6 37.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.727 . . . . 0.0 109.72 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.51 -71.97 0.14 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.555 -0.716 . . . . 0.0 109.567 -179.799 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -24.99 67.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.56 -0.713 . . . . 0.0 109.865 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.2 37.45 3.43 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.41 -57.48 4.4 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.466 -1.02 . . . . 0.0 109.441 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.1 p -65.34 -42.86 92.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.619 -0.675 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -31.03 71.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.573 -0.704 . . . . 0.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -73.2 -27.23 61.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.593 -0.692 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -30.64 53.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.48 -0.763 . . . . 0.0 109.453 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 66.8 mt -69.61 -39.14 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.579 -0.701 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -63.13 -50.6 69.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.564 -0.71 . . . . 0.0 109.512 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -61.14 -30.57 70.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.508 -0.745 . . . . 0.0 109.6 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.98 67.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.727 -0.608 . . . . 0.0 109.603 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -72.98 -25.1 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.491 -0.755 . . . . 0.0 109.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -74.11 -46.05 45.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.55 -44.53 71.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.84 -34.25 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.468 -1.019 . . . . 0.0 109.34 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 16' ' ' LEU . 8.2 mt -67.42 -27.61 67.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.608 -0.682 . . . . 0.0 109.549 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.91 -26.09 34.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.528 -0.733 . . . . 0.0 109.845 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.36 62.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.443 -0.785 . . . . 0.0 109.711 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -47.78 68.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.572 -0.705 . . . . 0.0 109.688 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 109.696 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 N--CA 1.494 1.741 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -54.68 11.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.513 -0.742 . . . . 0.0 109.643 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.07 -29.46 70.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.499 -0.751 . . . . 0.0 109.66 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.4 -28.91 59.64 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.69 -54.78 16.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.59 -0.694 . . . . 0.0 109.376 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.12 -31.86 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.651 -0.656 . . . . 0.0 109.33 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -65.72 -33.37 75.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.579 -0.701 . . . . 0.0 109.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -69.8 -32.1 70.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.582 -0.699 . . . . 0.0 109.523 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.53 79.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.637 -0.664 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.4 t -64.92 -44.34 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.642 -0.661 . . . . 0.0 109.517 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.61 -27.76 68.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.519 -0.738 . . . . 0.0 109.773 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.06 -48.48 53.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.37 -31.03 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.559 -0.965 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -31.08 65.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.507 -0.745 . . . . 0.0 109.459 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -63.06 -47.83 81.24 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.592 -0.693 . . . . 0.0 109.411 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 -25.3 60.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.612 -0.68 . . . . 0.0 109.753 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -74.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.362 -0.836 . . . . 0.0 109.892 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.842 0 O-C-N 121.456 -0.778 . . . . 0.0 109.692 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -47.94 75.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.528 -0.732 . . . . 0.0 109.431 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.01 -50.0 73.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.586 -0.697 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.06 -16.65 63.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.7 -0.625 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 7' ' ' LEU . 8.9 tt -72.0 -46.32 57.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 109.782 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 mm -70.39 -34.67 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.795 . . . . 0.0 109.711 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -62.69 -47.51 83.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.487 -0.758 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -68.72 -24.29 64.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 109.748 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -26.37 64.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.44 -0.788 . . . . 0.0 109.538 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 15' ' ' ILE . 43.0 t -78.18 -50.44 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.481 -0.762 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -18.9 64.7 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 109.886 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.7 -42.46 7.75 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 12' ' ' VAL . 3.7 tt -62.6 -28.54 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.338 -1.096 . . . . 0.0 109.434 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -30.41 27.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.684 -0.635 . . . . 0.0 109.4 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.37 -31.11 70.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.6 -0.687 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.76 -33.41 19.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.7 -26.31 66.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.559 -0.713 . . . . 0.0 109.623 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.5 mt . . . . . 0 N--CA 1.493 1.705 0 O-C-N 121.379 -0.826 . . . . 0.0 109.64 -179.868 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.549 -0.538 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -69.72 -48.11 60.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.483 -0.761 . . . . 0.0 109.456 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.17 -26.46 68.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.612 -0.68 . . . . 0.0 109.78 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.87 -31.44 59.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.491 -0.755 . . . . 0.0 109.607 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.62 -58.55 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.549 -0.72 . . . . 0.0 109.465 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.08 -32.88 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.481 -0.762 . . . . 0.0 109.277 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 t -65.3 -30.96 71.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.717 -0.614 . . . . 0.0 109.353 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -73.17 -27.78 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -62.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.551 -0.718 . . . . 0.0 109.652 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.83 -59.36 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.578 -0.701 . . . . 0.0 109.55 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.84 -24.31 61.84 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.592 -0.693 . . . . 0.0 110.124 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.25 -46.36 93.18 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.37 -34.58 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.57 -0.959 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -68.64 -29.39 67.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.603 -0.686 . . . . 0.0 109.618 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -73.66 -29.98 62.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.53 -0.732 . . . . 0.0 109.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.97 44.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.494 -0.754 . . . . 0.0 109.47 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.55 -56.1 8.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.617 -0.677 . . . . 0.0 109.388 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 16' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.493 1.684 0 O-C-N 121.521 -0.737 . . . . 0.0 109.457 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p . . . . . 0 N--CA 1.492 1.625 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -40.32 76.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.585 -0.697 . . . . 0.0 109.504 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 8' ' ' ILE . 3.9 mt-10 -62.99 -40.14 96.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.537 -0.727 . . . . 0.0 109.602 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.6 -25.91 66.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.6 -0.687 . . . . 0.0 109.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 tt -81.26 -25.65 36.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.431 -0.793 . . . . 0.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.1 mt -75.79 -31.04 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.637 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -78.04 -43.79 28.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.506 -0.746 . . . . 0.0 109.622 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 7' ' ' LEU . 8.4 t -68.49 -31.17 70.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.579 -0.701 . . . . 0.0 109.757 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.32 69.94 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.514 -0.741 . . . . 0.0 110.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.8 t -61.6 -64.11 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.757 . . . . 0.0 109.976 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.24 -20.67 59.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.638 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.74 -31.05 50.93 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' VAL . 7.9 mt -74.69 -31.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -1.055 . . . . 0.0 109.566 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.66 28.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.486 -0.759 . . . . 0.0 109.415 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -80.64 -23.79 39.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 109.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.2 10.09 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.829 . . . . 0.0 109.851 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.14 -35.81 79.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.471 -0.768 . . . . 0.0 109.615 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.538 -0.726 . . . . 0.0 109.506 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 t -61.37 -57.69 11.27 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.436 -0.79 . . . . 0.0 109.677 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.34 -23.9 67.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.625 . . . . 0.0 109.927 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.36 -32.26 71.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.433 -0.792 . . . . 0.0 109.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.23 -48.93 30.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 109.681 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.57 -27.95 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.537 -0.727 . . . . 0.0 109.802 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -73.23 -30.25 63.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.466 -0.771 . . . . 0.0 109.715 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -70.85 -42.38 70.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.35 63.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.529 -0.732 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' ILE . 11.2 p -61.87 -27.85 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.607 -0.683 . . . . 0.0 109.66 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -35.27 80.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.477 -0.764 . . . . 0.0 109.464 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.15 -28.1 64.94 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 12' ' ' VAL . 52.9 mt -72.32 -27.29 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.531 -0.982 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mp -77.35 -37.62 51.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.521 -0.737 . . . . 0.0 109.622 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.22 -41.72 99.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.525 -0.734 . . . . 0.0 109.651 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.55 58.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.502 -0.749 . . . . 0.0 109.879 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.87 -39.0 87.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.431 -0.793 . . . . 0.0 109.57 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 N--CA 1.493 1.704 0 O-C-N 121.543 -0.723 . . . . 0.0 109.237 179.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.0 t . . . . . 0 N--CA 1.493 1.68 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 m -62.59 -49.54 74.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.722 . . . . 0.0 109.309 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 mt-10 -69.71 -21.05 63.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.659 -0.65 . . . . 0.0 109.753 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.66 -39.19 70.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.344 -0.847 . . . . 0.0 109.83 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -71.65 -49.26 41.53 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 109.772 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 5' ' ' GLU . 7.1 tt -63.18 -28.48 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.531 -0.731 . . . . 0.0 109.779 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -68.89 -37.34 78.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.576 -0.703 . . . . 0.0 109.745 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -21.21 37.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.512 -0.742 . . . . 0.0 110.283 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.59 -51.95 11.7 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.312 -0.867 . . . . 0.0 109.92 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.79 -51.34 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.569 -0.707 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -26.84 67.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.552 -0.718 . . . . 0.0 109.992 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.61 -37.77 77.75 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.95 -34.11 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.493 -1.004 . . . . 0.0 109.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -66.92 -30.11 70.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 0.0 109.512 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.68 -38.97 73.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.569 -0.707 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.98 73.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.535 -0.728 . . . . 0.0 109.653 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -28.87 41.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.514 -0.741 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt . . . . . 0 N--CA 1.493 1.695 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.493 1.695 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -40.54 72.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.393 -0.817 . . . . 0.0 109.654 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.28 -42.55 79.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.735 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.8 mm? -71.28 -23.87 62.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.613 -0.679 . . . . 0.0 109.972 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.43 -57.97 4.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -62.21 -31.22 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.567 -0.708 . . . . 0.0 109.683 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -64.79 -41.02 96.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.549 -0.719 . . . . 0.0 109.531 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -80.07 -18.39 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.694 -0.629 . . . . 0.0 110.357 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 -61.35 1.89 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -0.906 . . . . 0.0 109.618 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.94 -45.07 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.477 -0.765 . . . . 0.0 109.832 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.46 -26.65 65.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.609 -0.682 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.3 -36.12 88.97 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.43 -41.36 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.567 -0.961 . . . . 0.0 109.585 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.9 mm? -64.44 -28.79 69.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.673 -0.642 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -80.31 -29.35 38.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.57 -0.706 . . . . 0.0 109.514 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.6 60.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.546 -0.721 . . . . 0.0 109.509 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.4 mm? -64.92 -51.74 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.584 -0.697 . . . . 0.0 109.609 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt . . . . . 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.804 -179.583 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -69.25 -51.79 34.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.548 -0.72 . . . . 0.0 109.454 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.58 -16.86 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.637 -0.664 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -57.31 4.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 109.564 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.24 -44.01 97.53 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 109.889 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.61 -23.06 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.448 -0.782 . . . . 0.0 110.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -80.87 -28.3 36.04 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.326 -0.859 . . . . 0.0 109.662 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -77.81 -26.76 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.503 -0.748 . . . . 0.0 109.784 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.43 -48.01 21.15 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.535 -0.728 . . . . 0.0 109.801 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.88 -53.02 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.493 -0.754 . . . . 0.0 109.585 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.0 -23.49 67.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 110.269 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.74 -36.25 66.64 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.46 -47.35 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -1.012 . . . . 0.0 109.566 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.24 -28.54 69.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.725 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -84.0 -15.95 45.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.512 -0.742 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.9 -51.14 9.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -0.949 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.14 -55.52 5.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.573 -0.704 . . . . 0.0 109.857 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 110.06 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -64.35 -41.53 96.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.632 -0.668 . . . . 0.0 109.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.04 -31.17 71.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 109.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.8 -29.81 66.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.555 -0.716 . . . . 0.0 109.399 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -33.96 74.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 109.582 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 12' ' ' VAL . 41.1 mm -77.65 -27.63 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -79.89 -26.76 40.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.484 -0.76 . . . . 0.0 110.087 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -82.62 -30.68 29.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 -45.15 27.44 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 109.828 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 8' ' ' ILE . 10.0 p -73.71 -32.18 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.484 -0.76 . . . . 0.0 109.776 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -74.79 -33.34 62.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.532 -0.73 . . . . 0.0 109.752 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.57 -40.24 67.26 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.55 -33.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.556 -0.967 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.34 -28.97 64.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.574 -0.704 . . . . 0.0 109.749 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -68.98 -49.09 60.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.725 . . . . 0.0 109.621 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -29.38 69.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.649 -0.657 . . . . 0.0 109.736 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.64 -41.94 99.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.488 -0.758 . . . . 0.0 109.521 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp . . . . . 0 N--CA 1.493 1.719 0 O-C-N 121.572 -0.705 . . . . 0.0 109.588 -179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -64.3 -40.38 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.632 -0.668 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.07 -33.35 75.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.599 -0.688 . . . . 0.0 109.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 6' ' ' LEU . 24.1 mt -76.09 -25.41 55.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.48 -36.63 60.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.403 -0.81 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.3 mt -74.79 -40.25 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.491 -0.755 . . . . 0.0 109.656 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -63.58 -50.1 70.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.554 -0.716 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -68.16 -25.42 65.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.569 -0.707 . . . . 0.0 109.898 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.0 90.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.0 t -66.77 -53.23 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.492 -0.755 . . . . 0.0 109.631 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -19.16 56.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.571 -0.706 . . . . 0.0 110.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.41 -30.98 35.12 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 12' ' ' VAL . 15.7 mt -71.72 -45.31 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.974 . . . . 0.0 109.229 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -64.73 -34.04 77.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.546 -0.721 . . . . 0.0 109.486 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -24.2 49.76 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.56 -0.713 . . . . 0.0 109.798 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.07 60.12 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.481 -0.762 . . . . 0.0 109.707 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.54 -32.22 36.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.547 -0.72 . . . . 0.0 109.509 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.3 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -63.01 -61.19 2.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.512 -0.743 . . . . 0.0 109.719 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.48 -32.37 72.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.728 . . . . 0.0 109.86 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.8 tp -64.35 -31.55 72.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.565 -0.71 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -33.54 65.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.606 -0.684 . . . . 0.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.63 -31.64 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -67.99 -55.54 12.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.548 -0.72 . . . . 0.0 109.437 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -62.9 -25.01 68.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.672 -0.642 . . . . 0.0 109.87 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.78 92.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.346 -0.846 . . . . 0.0 109.636 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.23 -53.64 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.49 -0.756 . . . . 0.0 109.478 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -22.5 64.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.603 -0.686 . . . . 0.0 109.942 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.39 -33.71 61.2 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.77 -45.09 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.19 -37.33 87.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.655 -0.653 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -17.39 58.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.082 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 -54.41 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.315 -0.866 . . . . 0.0 109.494 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -32.53 73.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.53 -0.731 . . . . 0.0 109.642 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 109.402 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 6' ' ' LEU . 40.1 t . . . . . 0 N--CA 1.492 1.653 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -46.33 80.21 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.564 -0.71 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.84 -22.97 64.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.477 -0.765 . . . . 0.0 110.247 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 3' ' ' VAL . 49.5 mt -75.69 -37.61 59.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 10' ' ' THR . 5.1 mp -74.83 -44.67 47.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.453 -0.78 . . . . 0.0 110.064 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.43 -26.98 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -72.7 -45.99 56.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.473 -0.767 . . . . 0.0 109.831 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 7' ' ' LEU . 8.0 t -66.05 -27.27 67.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.567 -0.708 . . . . 0.0 109.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -56.9 10.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.598 -0.689 . . . . 0.0 110.05 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -61.6 -53.4 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.82 -19.7 60.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.42 -41.14 46.05 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -66.66 -50.85 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.527 -0.984 . . . . 0.0 109.489 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.5 -28.28 69.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 109.654 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.75 -39.71 94.95 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.611 -0.68 . . . . 0.0 109.75 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.74 81.34 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.579 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -64.3 0.97 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 109.559 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.45 -0.781 . . . . 0.0 110.856 -179.121 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 t . . . . . 0 N--CA 1.492 1.644 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -62.92 -49.72 73.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.504 -0.747 . . . . 0.0 109.524 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.66 -30.7 71.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 0.0 109.463 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.82 81.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.603 -0.686 . . . . 0.0 109.176 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.62 -36.4 82.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.609 -0.682 . . . . 0.0 109.317 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mm -64.31 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.605 -0.684 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -65.78 -32.47 74.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.554 -0.716 . . . . 0.0 109.245 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -74.06 -23.83 59.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.671 -0.643 . . . . 0.0 109.833 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.59 66.39 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 0.0 109.615 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' ILE . 28.4 t -71.26 -32.58 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.49 -0.756 . . . . 0.0 109.693 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.527 -0.733 . . . . 0.0 109.748 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.0 -43.63 21.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 12' ' ' VAL . 2.9 tt -63.02 -30.68 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.604 -0.939 . . . . 0.0 109.219 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -75.96 -30.03 58.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.545 -0.722 . . . . 0.0 109.296 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.64 -37.2 85.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.484 -0.76 . . . . 0.0 109.414 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.58 27.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.577 -0.702 . . . . 0.0 109.631 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.79 -61.46 2.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.574 -0.704 . . . . 0.0 109.325 179.873 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 t . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 110.207 -0.294 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 t -65.67 -63.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.27 -0.894 . . . . 0.0 109.731 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.81 -31.47 72.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.472 -0.767 . . . . 0.0 109.781 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 6' ' ' LEU . 1.3 mm? -72.34 -20.76 61.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.524 -0.735 . . . . 0.0 110.11 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.6 -51.82 10.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.286 -0.884 . . . . 0.0 109.729 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.88 -36.76 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 0.0 109.603 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -65.68 -46.67 78.19 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.541 -0.724 . . . . 0.0 109.659 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -73.38 -15.6 61.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.636 -0.665 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.85 65.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.232 -0.918 . . . . 0.0 109.544 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 t -73.53 -62.39 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.615 -0.678 . . . . 0.0 109.504 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -61.95 -18.76 61.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.638 -0.664 . . . . 0.0 110.337 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.02 -43.67 26.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -64.26 -37.49 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -1.007 . . . . 0.0 109.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -29.49 60.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.452 -0.78 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.79 -25.75 59.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.513 -0.742 . . . . 0.0 109.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -44.35 19.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.492 -0.755 . . . . 0.0 109.76 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.34 -42.83 99.33 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.447 -0.783 . . . . 0.0 109.542 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.6 mm? . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.489 -0.757 . . . . 0.0 109.341 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t . . . . . 0 N--CA 1.493 1.721 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -48.0 80.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.578 -0.701 . . . . 0.0 109.241 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HA ' HG22 ' A' ' 8' ' ' ILE . 12.0 mm-40 -70.09 -23.21 63.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.687 -0.633 . . . . 0.0 109.722 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 6' ' ' LEU . 3.5 tp -71.53 -31.63 67.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.44 -0.788 . . . . 0.0 109.536 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -75.76 -50.94 13.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.587 -0.696 . . . . 0.0 109.696 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.438 HG22 ' HA ' ' A' ' 5' ' ' GLU . 4.4 tt -60.55 -32.19 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.547 -0.721 . . . . 0.0 109.641 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -69.2 -34.52 75.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.674 -0.641 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -73.56 -29.52 62.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.597 -0.689 . . . . 0.0 109.695 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -51.83 31.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.523 -0.735 . . . . 0.0 109.639 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.9 -31.49 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.535 -0.728 . . . . 0.0 109.511 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.55 76.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.506 -0.746 . . . . 0.0 109.757 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -34.14 85.48 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.19 -46.53 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.681 -0.893 . . . . 0.0 109.397 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.5 mm? -61.27 -27.43 68.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.638 -0.663 . . . . 0.0 109.732 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.25 -38.53 85.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.468 -0.77 . . . . 0.0 109.574 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.46 61.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 109.66 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.7 -45.97 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.466 -0.771 . . . . 0.0 109.593 -179.718 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.547 -0.72 . . . . 0.0 109.457 -179.938 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.493 1.714 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -71.26 -47.94 54.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.555 -0.716 . . . . 0.0 109.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.04 -27.47 69.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.562 -0.711 . . . . 0.0 109.704 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -27.06 51.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.747 . . . . 0.0 109.824 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.26 -36.67 63.85 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.571 -0.706 . . . . 0.0 109.952 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' VAL . 40.4 mm -80.74 -28.58 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.818 . . . . 0.0 109.742 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -78.8 -27.9 44.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.472 -0.768 . . . . 0.0 109.952 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -78.56 -34.18 47.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.749 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.42 79.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.56 -0.713 . . . . 0.0 109.725 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 39.5 t -70.47 -52.64 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -60.3 -24.59 65.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.545 -0.722 . . . . 0.0 110.081 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.84 55.42 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.38 -33.01 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.547 -0.972 . . . . 0.0 109.575 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.12 -26.14 58.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.518 -0.739 . . . . 0.0 109.845 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.27 -38.35 81.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.408 -0.808 . . . . 0.0 109.642 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -32.42 54.16 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.557 -0.715 . . . . 0.0 109.824 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.74 -60.41 3.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.508 -0.745 . . . . 0.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 20' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.494 1.763 0 O-C-N 121.522 -0.736 . . . . 0.0 110.734 -179.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p . . . . . 0 N--CA 1.492 1.64 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m -62.65 -59.99 4.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.536 -0.728 . . . . 0.0 109.558 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 mm-40 -60.89 -22.81 64.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.569 -0.707 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -54.82 34.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.329 -0.857 . . . . 0.0 109.691 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.54 -41.67 97.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.544 -0.723 . . . . 0.0 109.938 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.8 mt -63.58 -24.73 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.485 -0.759 . . . . 0.0 109.833 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -28.61 50.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.0 109.728 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -73.96 -32.69 63.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.593 -0.692 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.01 56.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.468 -0.77 . . . . 0.0 109.671 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 8' ' ' ILE . 41.8 t -76.14 -26.62 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.577 -0.702 . . . . 0.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -74.96 -31.97 61.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.391 -0.818 . . . . 0.0 109.688 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.31 -49.46 26.03 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.3 -41.86 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.485 -1.009 . . . . 0.0 109.515 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 12' ' ' VAL . 2.2 mp -67.45 -25.36 65.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.664 . . . . 0.0 109.731 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.46 -40.23 89.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.443 -0.786 . . . . 0.0 109.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.85 67.11 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.501 -0.749 . . . . 0.0 109.529 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.0 tp -72.82 -29.45 63.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.493 1.68 0 O-C-N 121.603 -0.686 . . . . 0.0 109.384 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 N--CA 1.493 1.722 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -56.81 14.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.448 -0.782 . . . . 0.0 109.753 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -36.1 82.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -25.98 67.88 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.658 -0.651 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.4 -30.47 53.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.697 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.99 -47.89 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.603 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -49.59 76.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.542 -0.724 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -63.44 -25.19 68.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.634 -0.666 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.74 76.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.2 -0.937 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 15' ' ' ILE . 33.5 t -68.73 -27.92 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.602 -0.686 . . . . 0.0 109.607 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -74.8 -21.12 59.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.41 -0.806 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.63 9.76 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -64.67 -32.26 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.569 -0.959 . . . . 0.0 109.466 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.1 -40.45 59.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.587 -0.696 . . . . 0.0 109.543 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -23.39 64.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.688 . . . . 0.0 109.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.87 -36.29 42.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 0.0 109.585 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.29 0.71 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.554 -0.716 . . . . 0.0 109.531 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.539 -0.726 . . . . 0.0 109.545 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.492 1.671 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 m -63.08 -41.94 99.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.534 -0.729 . . . . 0.0 109.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.95 -31.2 72.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.18 -30.97 70.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.592 -0.693 . . . . 0.0 109.537 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.37 -30.79 63.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.717 . . . . 0.0 109.641 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.75 -42.22 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 t -66.25 -42.2 88.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.432 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -62.26 -26.7 68.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.84 67.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.468 -0.77 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.28 -68.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.61 -0.681 . . . . 0.0 109.614 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.68 -20.64 61.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.572 -0.705 . . . . 0.0 110.205 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.8 -49.8 52.36 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.5 -43.91 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.465 -1.021 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -25.78 67.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.543 -0.723 . . . . 0.0 109.624 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -33.12 66.16 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.469 -0.769 . . . . 0.0 109.5 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -24.46 56.78 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.573 -0.704 . . . . 0.0 110.039 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.67 -69.24 0.61 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.467 -0.771 . . . . 0.0 109.773 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.498 -179.679 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p . . . . . 0 N--CA 1.494 1.732 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 t -61.14 -48.05 83.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.764 . . . . 0.0 109.728 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.17 -32.28 73.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 109.396 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -25.42 62.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.643 -0.661 . . . . 0.0 109.741 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.07 -46.07 65.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.804 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.66 -33.01 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.742 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -74.69 -27.0 60.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.555 -0.716 . . . . 0.0 109.836 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -84.86 -22.74 29.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.444 -0.785 . . . . 0.0 110.07 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.14 56.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.345 -0.847 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 15' ' ' ILE . 29.9 t -81.26 -39.23 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.586 -0.696 . . . . 0.0 109.703 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -73.43 -24.68 60.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.551 -0.718 . . . . 0.0 109.79 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 -44.12 12.07 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 12' ' ' VAL . 6.3 tp -62.76 -31.46 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.579 -0.954 . . . . 0.0 109.53 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.94 -28.68 35.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.61 -0.681 . . . . 0.0 109.537 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.64 -31.67 71.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.57 -0.706 . . . . 0.0 109.493 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.24 -34.6 37.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.727 . . . . 0.0 109.72 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.51 -71.97 0.14 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.555 -0.716 . . . . 0.0 109.567 -179.799 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.56 -0.713 . . . . 0.0 109.865 -179.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.613 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -73.05 93.95 0.68 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.9 p -62.45 -30.53 49.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 121.567 -0.961 . . . . 0.0 109.437 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.1 p -65.34 -42.86 92.45 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.619 -0.675 . . . . 0.0 109.619 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.29 -31.03 71.57 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.573 -0.704 . . . . 0.0 109.657 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 23.8 mt -73.2 -27.23 61.51 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.593 -0.692 . . . . 0.0 109.632 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -77.4 -30.64 53.68 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.48 -0.763 . . . . 0.0 109.453 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.744 ' O ' HG23 ' A' ' 12' ' ' VAL . 66.8 mt -69.61 -39.14 77.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.579 -0.701 . . . . 0.0 109.585 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.0 m -63.13 -50.6 69.78 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.564 -0.71 . . . . 0.0 109.512 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.2 t -61.14 -30.57 70.46 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.508 -0.745 . . . . 0.0 109.6 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.19 -30.98 67.07 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.727 -0.608 . . . . 0.0 109.603 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.744 HG23 ' O ' ' A' ' 8' ' ' ILE . 38.7 t -72.98 -25.1 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.491 -0.755 . . . . 0.0 109.887 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -74.11 -46.05 45.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.393 -0.817 . . . . 0.0 109.981 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.55 -44.53 71.8 Favored Glycine 0 N--CA 1.495 2.627 0 N-CA-C 109.991 -1.244 . . . . 0.0 109.991 -179.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.1 mt -64.84 -34.25 68.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.468 -1.019 . . . . 0.0 109.34 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.438 ' HA ' HD23 ' A' ' 16' ' ' LEU . 8.2 mt -67.42 -27.61 67.21 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.608 -0.682 . . . . 0.0 109.549 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.91 -26.09 34.38 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.528 -0.733 . . . . 0.0 109.845 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.99 -47.36 62.5 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.443 -0.785 . . . . 0.0 109.711 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.82 -47.78 68.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.572 -0.705 . . . . 0.0 109.688 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.44 -27.14 68.34 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.566 -0.709 . . . . 0.0 109.696 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.18 -33.65 44.05 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.679 -1.368 . . . . 0.0 109.679 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.78 -68.99 0.55 Allowed 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.611 -0.934 . . . . 0.0 109.508 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.315 0 O-C-N 119.766 -1.834 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.647 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.84 139.33 2.73 Favored Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.571 -1.412 . . . . 0.0 109.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 p -68.08 -27.11 36.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.614 -0.933 . . . . 0.0 109.651 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.37 -54.68 11.49 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.513 -0.742 . . . . 0.0 109.643 -179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -62.07 -29.46 70.32 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.499 -0.751 . . . . 0.0 109.66 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 34.1 mt -75.4 -28.91 59.64 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.525 -0.734 . . . . 0.0 109.622 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 tt -67.69 -54.78 16.69 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.59 -0.694 . . . . 0.0 109.376 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -63.12 -31.86 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.651 -0.656 . . . . 0.0 109.33 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.0 t -65.72 -33.37 75.72 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.579 -0.701 . . . . 0.0 109.386 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -69.8 -32.1 70.37 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.582 -0.699 . . . . 0.0 109.523 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.83 -40.53 79.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.637 -0.664 . . . . 0.0 109.522 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.4 t -64.92 -44.34 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.642 -0.661 . . . . 0.0 109.517 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -65.61 -27.76 68.63 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.519 -0.738 . . . . 0.0 109.773 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.06 -48.48 53.4 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 109.654 -1.378 . . . . 0.0 109.654 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.7 mt -63.37 -31.03 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.559 -0.965 . . . . 0.0 109.378 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -31.08 65.19 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.507 -0.745 . . . . 0.0 109.459 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -63.06 -47.83 81.24 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.592 -0.693 . . . . 0.0 109.411 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.94 -25.3 60.98 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.612 -0.68 . . . . 0.0 109.753 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -74.18 0.07 Allowed 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.362 -0.836 . . . . 0.0 109.892 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.73 -33.13 75.16 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.456 -0.778 . . . . 0.0 109.692 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 51.95 37.05 43.89 Favored Glycine 0 N--CA 1.5 2.926 0 N-CA-C 110.562 -1.015 . . . . 0.0 110.562 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.99 138.47 37.06 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.588 -0.948 . . . . 0.0 109.559 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.652 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 100.8 54.78 0.97 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.506 -1.438 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 42.1 t -81.86 -30.53 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.531 -0.981 . . . . 0.0 109.444 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.96 -47.94 75.83 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.528 -0.732 . . . . 0.0 109.431 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -62.01 -50.0 73.78 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.586 -0.697 . . . . 0.0 109.411 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.4 mt -65.06 -16.65 63.69 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.7 -0.625 . . . . 0.0 110.229 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.458 ' C ' HD23 ' A' ' 7' ' ' LEU . 8.9 tt -72.0 -46.32 57.67 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.207 -0.933 . . . . 0.0 109.782 -179.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.43 ' O ' HG23 ' A' ' 12' ' ' VAL . 41.6 mm -70.39 -34.67 58.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 121.429 -0.795 . . . . 0.0 109.711 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -62.69 -47.51 83.32 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.487 -0.758 . . . . 0.0 109.569 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.8 m -68.72 -24.29 64.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.585 -0.697 . . . . 0.0 109.748 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.92 -26.37 64.12 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.44 -0.788 . . . . 0.0 109.538 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 ' O ' HG22 ' A' ' 15' ' ' ILE . 43.0 t -78.18 -50.44 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.684 0 O-C-N 121.481 -0.762 . . . . 0.0 109.355 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -68.21 -18.9 64.7 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.505 -0.747 . . . . 0.0 109.886 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.7 -42.46 7.75 Favored Glycine 0 N--CA 1.493 2.467 0 N-CA-C 109.925 -1.27 . . . . 0.0 109.925 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 12' ' ' VAL . 3.7 tt -62.6 -28.54 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 121.338 -1.096 . . . . 0.0 109.434 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -83.31 -30.41 27.55 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.684 -0.635 . . . . 0.0 109.4 179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 6.8 t80 -68.37 -31.11 70.26 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.6 -0.687 . . . . 0.0 109.556 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -86.76 -33.41 19.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 109.449 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.7 -26.31 66.95 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.559 -0.713 . . . . 0.0 109.623 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.5 mt -62.46 -60.8 3.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.379 -0.826 . . . . 0.0 109.64 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 150.81 -39.96 0.82 Allowed Glycine 0 N--CA 1.492 2.421 0 N-CA-C 109.491 -1.444 . . . . 0.0 109.491 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.08 -32.48 74.21 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.504 -0.997 . . . . 0.0 109.351 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.905 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.65 52.94 0.19 Allowed Glycine 0 N--CA 1.492 2.42 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 29.8 t -71.58 -29.99 36.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.59 -0.947 . . . . 0.0 109.549 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 96.1 p -69.72 -48.11 60.67 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.483 -0.761 . . . . 0.0 109.456 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -62.17 -26.46 68.35 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.612 -0.68 . . . . 0.0 109.78 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.7 mt -75.87 -31.44 59.25 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.491 -0.755 . . . . 0.0 109.607 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -67.62 -58.55 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.549 -0.72 . . . . 0.0 109.465 -179.878 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.08 -32.88 55.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.481 -0.762 . . . . 0.0 109.277 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.2 t -65.3 -30.96 71.87 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.717 -0.614 . . . . 0.0 109.353 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 23.6 m -73.17 -27.78 61.84 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.1 -62.27 1.45 Allowed 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.551 -0.718 . . . . 0.0 109.652 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -64.83 -59.36 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.679 0 O-C-N 121.578 -0.701 . . . . 0.0 109.55 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -58.84 -24.31 61.84 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.592 -0.693 . . . . 0.0 110.124 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.25 -46.36 93.18 Favored Glycine 0 N--CA 1.494 2.529 0 N-CA-C 109.486 -1.446 . . . . 0.0 109.486 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.37 -34.58 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.57 -0.959 . . . . 0.0 109.301 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -68.64 -29.39 67.87 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.603 -0.686 . . . . 0.0 109.618 179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -73.66 -29.98 62.64 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.53 -0.732 . . . . 0.0 109.542 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.94 -29.97 44.39 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.494 -0.754 . . . . 0.0 109.47 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tt -69.55 -56.1 8.29 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.617 -0.677 . . . . 0.0 109.388 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.449 HD23 HD23 ' A' ' 16' ' ' LEU . 4.1 mm? -63.53 -39.57 94.76 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.521 -0.737 . . . . 0.0 109.457 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.0 31.17 80.04 Favored Glycine 0 N--CA 1.493 2.462 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -79.59 116.06 19.57 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.63 -0.924 . . . . 0.0 109.488 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 119.84 -1.787 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 120.97 -41.9 1.82 Allowed Glycine 0 N--CA 1.493 2.459 0 N-CA-C 109.619 -1.392 . . . . 0.0 109.619 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.8 p -65.89 -30.56 50.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.625 0 O-C-N 121.514 -0.991 . . . . 0.0 109.347 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.79 -40.32 76.09 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.585 -0.697 . . . . 0.0 109.504 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.638 ' HA ' HD12 ' A' ' 8' ' ' ILE . 3.9 mt-10 -62.99 -40.14 96.87 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.537 -0.727 . . . . 0.0 109.602 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 10.7 mt -66.6 -25.91 66.84 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.6 -0.687 . . . . 0.0 109.88 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 7' ' ' LEU . 3.1 tt -81.26 -25.65 36.43 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.431 -0.793 . . . . 0.0 110.281 -179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.659 ' O ' HG23 ' A' ' 12' ' ' VAL . 31.1 mt -75.79 -31.04 21.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.316 -0.865 . . . . 0.0 109.637 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -78.04 -43.79 28.28 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.506 -0.746 . . . . 0.0 109.622 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 7' ' ' LEU . 8.4 t -68.49 -31.17 70.25 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.579 -0.701 . . . . 0.0 109.757 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.51 -46.32 69.94 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.514 -0.741 . . . . 0.0 110.219 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 8' ' ' ILE . 42.8 t -61.6 -64.11 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.781 0 O-C-N 121.49 -0.757 . . . . 0.0 109.976 -179.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 -60.24 -20.67 59.89 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.557 -0.715 . . . . 0.0 110.638 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -77.74 -31.05 50.93 Favored Glycine 0 N--CA 1.495 2.623 0 N-CA-C 110.104 -1.198 . . . . 0.0 110.104 -179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' VAL . 7.9 mt -74.69 -31.61 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.712 0 O-C-N 121.406 -1.055 . . . . 0.0 109.566 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.07 -29.66 28.62 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.486 -0.759 . . . . 0.0 109.415 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -80.64 -23.79 39.45 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.618 -0.676 . . . . 0.0 109.9 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -45.2 10.09 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.829 . . . . 0.0 109.851 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.14 -35.81 79.9 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.471 -0.768 . . . . 0.0 109.615 -179.76 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mt -62.4 -51.81 66.09 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.538 -0.726 . . . . 0.0 109.506 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 115.01 -44.93 1.39 Allowed Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.6 83.52 7.99 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.61 -0.936 . . . . 0.0 109.514 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.637 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.07 115.41 0.48 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.6 p -67.75 -28.54 41.97 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.639 -0.918 . . . . 0.0 109.42 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 t -61.37 -57.69 11.27 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.436 -0.79 . . . . 0.0 109.677 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -63.34 -23.9 67.62 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.699 -0.625 . . . . 0.0 109.927 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.0 tt -69.36 -32.26 71.21 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.433 -0.792 . . . . 0.0 109.499 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.23 -48.93 30.79 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 109.681 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.8 mt -63.57 -27.95 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.537 -0.727 . . . . 0.0 109.802 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 m -73.23 -30.25 63.35 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.466 -0.771 . . . . 0.0 109.715 -179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 21.4 m -70.85 -42.38 70.23 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.566 -0.709 . . . . 0.0 109.747 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.35 63.32 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.529 -0.732 . . . . 0.0 109.71 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.717 ' HA ' HD12 ' A' ' 15' ' ' ILE . 11.2 p -61.87 -27.85 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.607 -0.683 . . . . 0.0 109.66 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.18 -35.27 80.56 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.477 -0.764 . . . . 0.0 109.464 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.15 -28.1 64.94 Favored Glycine 0 N--CA 1.494 2.544 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.717 HD12 ' HA ' ' A' ' 12' ' ' VAL . 52.9 mt -72.32 -27.29 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 O-C-N 121.531 -0.982 . . . . 0.0 109.737 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mp -77.35 -37.62 51.94 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.521 -0.737 . . . . 0.0 109.622 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -63.22 -41.72 99.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.525 -0.734 . . . . 0.0 109.651 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.56 -26.55 58.07 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.502 -0.749 . . . . 0.0 109.879 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -60.87 -39.0 87.54 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.431 -0.793 . . . . 0.0 109.57 -179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.4 mt -63.16 -52.58 61.87 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.543 -0.723 . . . . 0.0 109.237 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 142.22 -47.16 0.84 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 109.613 -1.395 . . . . 0.0 109.613 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.03 -27.02 68.83 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.579 -0.953 . . . . 0.0 109.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.364 0 O-C-N 119.904 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.642 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 111.89 47.39 0.72 Allowed Glycine 0 N--CA 1.492 2.395 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.0 t -71.17 -29.41 36.29 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 121.635 -0.921 . . . . 0.0 109.425 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.1 m -62.59 -49.54 74.85 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.546 -0.722 . . . . 0.0 109.309 179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.465 ' HA ' HG22 ' A' ' 8' ' ' ILE . 4.5 mt-10 -69.71 -21.05 63.52 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.659 -0.65 . . . . 0.0 109.753 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 8.7 tt -71.66 -39.19 70.49 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.344 -0.847 . . . . 0.0 109.83 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -71.65 -49.26 41.53 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.507 -0.746 . . . . 0.0 109.772 -179.629 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.465 HG22 ' HA ' ' A' ' 5' ' ' GLU . 7.1 tt -63.18 -28.48 45.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.531 -0.731 . . . . 0.0 109.779 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -68.89 -37.34 78.96 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.576 -0.703 . . . . 0.0 109.745 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.9 -21.21 37.5 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.512 -0.742 . . . . 0.0 110.283 -179.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -75.59 -51.95 11.7 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.312 -0.867 . . . . 0.0 109.92 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 39.7 t -69.79 -51.34 41.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 121.569 -0.707 . . . . 0.0 109.741 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.63 -26.84 67.33 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.552 -0.718 . . . . 0.0 109.992 -179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.61 -37.77 77.75 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.768 -1.333 . . . . 0.0 109.768 -179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.7 mt -70.95 -34.11 54.4 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.493 -1.004 . . . . 0.0 109.383 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' O ' HD23 ' A' ' 16' ' ' LEU . 0.7 OUTLIER -66.92 -30.11 70.16 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.646 -0.659 . . . . 0.0 109.512 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -70.68 -38.97 73.77 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.569 -0.707 . . . . 0.0 109.535 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.98 73.48 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.535 -0.728 . . . . 0.0 109.653 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.45 -28.87 41.62 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.514 -0.741 . . . . 0.0 109.518 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 mt -63.06 -57.51 10.39 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.523 -0.736 . . . . 0.0 109.461 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.69 -50.8 39.86 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.606 -1.398 . . . . 0.0 109.606 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -84.16 -162.57 0.67 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.56 -0.965 . . . . 0.0 109.496 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.874 -1.766 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.636 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.57 83.99 0.36 Allowed Glycine 0 N--CA 1.493 2.436 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 40.1 t -74.34 -25.02 19.24 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.629 -0.924 . . . . 0.0 109.726 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 33.1 t -70.73 -40.54 72.72 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.393 -0.817 . . . . 0.0 109.654 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -68.28 -42.55 79.35 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.553 -0.717 . . . . 0.0 109.735 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.429 ' HA ' HD13 ' A' ' 6' ' ' LEU . 2.8 mm? -71.28 -23.87 62.04 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.613 -0.679 . . . . 0.0 109.972 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 tt -69.43 -57.97 4.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.399 -0.813 . . . . 0.0 109.647 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -62.21 -31.22 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.567 -0.708 . . . . 0.0 109.683 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.8 t -64.79 -41.02 96.16 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.549 -0.719 . . . . 0.0 109.531 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.7 m -80.07 -18.39 50.14 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.694 -0.629 . . . . 0.0 110.357 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -74.25 -61.35 1.89 Allowed 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.25 -0.906 . . . . 0.0 109.618 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -61.94 -45.07 99.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 121.477 -0.765 . . . . 0.0 109.832 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -68.46 -26.65 65.6 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.609 -0.682 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.3 -36.12 88.97 Favored Glycine 0 N--CA 1.492 2.405 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -69.43 -41.36 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.567 -0.961 . . . . 0.0 109.585 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.9 mm? -64.44 -28.79 69.92 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.673 -0.642 . . . . 0.0 109.599 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 23.1 t80 -80.31 -29.35 38.12 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.57 -0.706 . . . . 0.0 109.514 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.14 -50.6 60.7 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.546 -0.721 . . . . 0.0 109.509 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 19' ' ' LEU . 3.4 mm? -64.92 -51.74 60.21 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.584 -0.697 . . . . 0.0 109.609 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 32.0 mt -87.74 15.44 6.95 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.567 -0.708 . . . . 0.0 110.804 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -61.95 -30.41 75.29 Favored Glycine 0 N--CA 1.494 2.511 0 N-CA-C 109.733 -1.347 . . . . 0.0 109.733 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.27 121.25 22.68 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.559 -0.965 . . . . 0.0 109.461 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.633 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -178.74 -38.96 0.06 OUTLIER Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.7 p -65.48 -32.12 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.584 -0.951 . . . . 0.0 109.271 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.2 m -69.25 -51.79 34.04 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.548 -0.72 . . . . 0.0 109.454 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -66.58 -16.86 64.48 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.637 -0.664 . . . . 0.0 110.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.63 -57.31 4.85 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.272 -0.893 . . . . 0.0 109.564 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -62.24 -44.01 97.53 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.566 -0.709 . . . . 0.0 109.889 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 43.5 mm -68.61 -23.06 27.45 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.448 -0.782 . . . . 0.0 110.167 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.1 t -80.87 -28.3 36.04 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.326 -0.859 . . . . 0.0 109.662 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.9 m -77.81 -26.76 49.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.503 -0.748 . . . . 0.0 109.784 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.43 -48.01 21.15 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.535 -0.728 . . . . 0.0 109.801 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.88 -53.02 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.686 0 O-C-N 121.493 -0.754 . . . . 0.0 109.585 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -63.0 -23.49 67.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.514 -0.741 . . . . 0.0 110.269 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.74 -36.25 66.64 Favored Glycine 0 N--CA 1.494 2.556 0 N-CA-C 110.047 -1.221 . . . . 0.0 110.047 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.9 mt -69.46 -47.35 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.48 -1.012 . . . . 0.0 109.566 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.24 -28.54 69.43 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.507 -0.746 . . . . 0.0 109.725 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 33.6 t80 -84.0 -15.95 45.78 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.512 -0.742 . . . . 0.0 110.434 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -79.9 -51.14 9.49 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.182 -0.949 . . . . 0.0 109.835 -179.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.0 mt -76.14 -55.52 5.51 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.573 -0.704 . . . . 0.0 109.857 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -75.15 -24.44 57.94 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.533 -0.729 . . . . 0.0 110.06 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -114.44 47.25 1.06 Allowed Glycine 0 N--CA 1.492 2.422 0 N-CA-C 109.636 -1.385 . . . . 0.0 109.636 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.62 -37.93 85.78 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.522 -0.987 . . . . 0.0 109.571 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.574 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.39 -95.18 1.12 Allowed Glycine 0 N--CA 1.492 2.429 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -63.59 -37.62 80.1 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.537 -0.978 . . . . 0.0 109.281 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 81.1 p -64.35 -41.53 96.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.632 -0.668 . . . . 0.0 109.539 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -62.04 -31.17 71.55 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.566 -0.709 . . . . 0.0 109.497 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.3 mt -70.8 -29.81 66.09 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.555 -0.716 . . . . 0.0 109.399 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.78 -33.96 74.76 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.569 -0.707 . . . . 0.0 109.582 -179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.722 ' O ' HG12 ' A' ' 12' ' ' VAL . 41.1 mm -77.65 -27.63 15.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.582 -0.699 . . . . 0.0 109.975 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.8 t -79.89 -26.76 40.14 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.484 -0.76 . . . . 0.0 110.087 -179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.6 t -82.62 -30.68 29.28 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.394 -0.816 . . . . 0.0 109.793 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.23 -45.15 27.44 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.659 -0.65 . . . . 0.0 109.828 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.722 HG12 ' O ' ' A' ' 8' ' ' ILE . 10.0 p -73.71 -32.18 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.484 -0.76 . . . . 0.0 109.776 -179.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -74.79 -33.34 62.22 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.532 -0.73 . . . . 0.0 109.752 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -70.57 -40.24 67.26 Favored Glycine 0 N--CA 1.493 2.49 0 N-CA-C 109.821 -1.312 . . . . 0.0 109.821 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 27.8 mt -70.55 -33.94 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.729 0 O-C-N 121.556 -0.967 . . . . 0.0 109.521 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.7 mt -71.34 -28.97 64.45 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.574 -0.704 . . . . 0.0 109.749 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 48.5 t80 -68.98 -49.09 60.99 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.539 -0.725 . . . . 0.0 109.621 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.34 -29.38 69.55 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.649 -0.657 . . . . 0.0 109.736 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.482 ' HA ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.64 -41.94 99.32 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.488 -0.758 . . . . 0.0 109.521 -179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.82 -29.59 67.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.572 -0.705 . . . . 0.0 109.588 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -129.54 54.54 0.78 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.77 151.02 47.9 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.622 -0.928 . . . . 0.0 109.445 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.405 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.673 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 136.71 -72.23 0.46 Allowed Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 38.7 t -68.34 -33.19 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 121.593 -0.945 . . . . 0.0 109.541 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.5 t -64.3 -40.38 95.83 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.632 -0.668 . . . . 0.0 109.65 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -65.07 -33.35 75.82 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.599 -0.688 . . . . 0.0 109.507 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 6' ' ' LEU . 24.1 mt -76.09 -25.41 55.46 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.556 -0.715 . . . . 0.0 109.857 -179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mt -75.48 -36.63 60.6 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.403 -0.81 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 59.3 mt -74.79 -40.25 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 121.491 -0.755 . . . . 0.0 109.656 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 92.6 p -63.58 -50.1 70.77 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.554 -0.716 . . . . 0.0 109.69 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.9 m -68.16 -25.42 65.25 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.569 -0.707 . . . . 0.0 109.898 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.15 -45.0 90.37 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.394 -0.816 . . . . 0.0 109.756 -179.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.607 ' HA ' HD12 ' A' ' 15' ' ' ILE . 31.0 t -66.77 -53.23 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 121.492 -0.755 . . . . 0.0 109.631 -179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -60.55 -19.16 56.48 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.571 -0.706 . . . . 0.0 110.266 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.41 -30.98 35.12 Favored Glycine 0 N--CA 1.494 2.562 0 N-CA-C 109.979 -1.248 . . . . 0.0 109.979 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 12' ' ' VAL . 15.7 mt -71.72 -45.31 66.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.544 -0.974 . . . . 0.0 109.229 -179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' A' ' 16' ' ' LEU . 4.1 mm? -64.73 -34.04 77.38 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.546 -0.721 . . . . 0.0 109.486 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -77.59 -24.2 49.76 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.56 -0.713 . . . . 0.0 109.798 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.24 -29.07 60.12 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.481 -0.762 . . . . 0.0 109.707 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.54 -32.22 36.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.509 -0.745 . . . . 0.0 109.595 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.53 -45.51 72.02 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.547 -0.72 . . . . 0.0 109.509 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.29 -53.86 12.53 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.673 -1.371 . . . . 0.0 109.673 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -78.03 162.16 26.92 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.576 -0.955 . . . . 0.0 109.387 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.9 -1.75 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.64 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.65 87.91 0.17 Allowed Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.3 t -75.08 -27.92 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.567 -0.961 . . . . 0.0 109.644 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.8 m -63.01 -61.19 2.56 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.512 -0.743 . . . . 0.0 109.719 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -61.48 -32.37 72.38 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.536 -0.728 . . . . 0.0 109.86 -179.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 17.8 tp -64.35 -31.55 72.8 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.565 -0.71 . . . . 0.0 109.582 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.08 -33.54 65.68 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.606 -0.684 . . . . 0.0 109.369 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 62.3 mt -69.63 -31.64 49.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.696 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.3 m -67.99 -55.54 12.28 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.548 -0.72 . . . . 0.0 109.437 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 m -62.9 -25.01 68.11 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.672 -0.642 . . . . 0.0 109.87 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.8 -43.78 92.07 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.346 -0.846 . . . . 0.0 109.636 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 41.8 t -62.23 -53.64 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 121.49 -0.756 . . . . 0.0 109.478 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.89 -22.5 64.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.603 -0.686 . . . . 0.0 109.942 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.39 -33.71 61.2 Favored Glycine 0 N--CA 1.493 2.472 0 N-CA-C 109.75 -1.34 . . . . 0.0 109.75 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.0 mm -67.77 -45.09 85.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 121.477 -1.014 . . . . 0.0 109.301 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mp -64.19 -37.33 87.08 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.655 -0.653 . . . . 0.0 109.505 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.39 -17.39 58.22 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.575 -0.703 . . . . 0.0 110.082 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.09 -54.41 7.2 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.315 -0.866 . . . . 0.0 109.494 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pp -63.05 -32.53 73.92 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.53 -0.731 . . . . 0.0 109.642 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.6 mt -74.93 -29.74 61.05 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.565 -0.709 . . . . 0.0 109.402 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -125.95 50.75 0.86 Allowed Glycine 0 N--CA 1.492 2.396 0 N-CA-C 109.567 -1.413 . . . . 0.0 109.567 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.52 168.33 6.02 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.598 -0.942 . . . . 0.0 109.428 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.376 0 O-C-N 119.821 -1.799 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.715 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.97 94.21 0.62 Allowed Glycine 0 N--CA 1.492 2.423 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.529 ' HA ' HD12 ' A' ' 6' ' ' LEU . 40.1 t -71.77 -31.52 41.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 O-C-N 121.573 -0.957 . . . . 0.0 109.435 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.47 -46.33 80.21 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.564 -0.71 . . . . 0.0 109.648 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -68.84 -22.97 64.2 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.477 -0.765 . . . . 0.0 110.247 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 3' ' ' VAL . 49.5 mt -75.69 -37.61 59.37 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.339 -0.851 . . . . 0.0 110.152 -179.507 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.576 ' O ' HG22 ' A' ' 10' ' ' THR . 5.1 mp -74.83 -44.67 47.98 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.453 -0.78 . . . . 0.0 110.064 -179.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.5 pp -63.43 -26.98 42.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.442 -0.787 . . . . 0.0 109.754 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -72.7 -45.99 56.01 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.473 -0.767 . . . . 0.0 109.831 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 7' ' ' LEU . 8.0 t -66.05 -27.27 67.97 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.567 -0.708 . . . . 0.0 109.914 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.02 -56.9 10.43 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.598 -0.689 . . . . 0.0 110.05 -179.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.4 t -61.6 -53.4 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.418 -0.801 . . . . 0.0 109.93 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -60.82 -19.7 60.2 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.428 -0.795 . . . . 0.0 110.127 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.42 -41.14 46.05 Favored Glycine 0 N--CA 1.494 2.547 0 N-CA-C 109.761 -1.336 . . . . 0.0 109.761 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.3 mm -66.66 -50.85 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.527 -0.984 . . . . 0.0 109.489 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 mp -62.5 -28.28 69.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.606 -0.684 . . . . 0.0 109.654 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -63.75 -39.71 94.95 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.611 -0.68 . . . . 0.0 109.75 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.64 -36.74 81.34 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.5 -0.75 . . . . 0.0 109.579 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.47 -64.3 0.97 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.592 -0.692 . . . . 0.0 109.559 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 16.2 mt -89.38 22.1 3.06 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.45 -0.781 . . . . 0.0 110.856 -179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.52 -29.0 68.48 Favored Glycine 0 N--CA 1.495 2.588 0 N-CA-C 109.804 -1.318 . . . . 0.0 109.804 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.53 118.95 20.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.561 -0.964 . . . . 0.0 109.555 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.809 -1.807 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.671 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -121.27 -41.5 0.5 Allowed Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.0 t -65.25 -34.66 72.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.581 -0.953 . . . . 0.0 109.403 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 34.2 t -62.92 -49.72 73.67 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.504 -0.747 . . . . 0.0 109.524 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -62.66 -30.7 71.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.514 -0.741 . . . . 0.0 109.463 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.97 -35.82 81.95 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.603 -0.686 . . . . 0.0 109.176 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tt -66.62 -36.4 82.5 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.609 -0.682 . . . . 0.0 109.317 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mm -64.31 -40.54 89.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 121.605 -0.684 . . . . 0.0 109.243 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.7 p -65.78 -32.47 74.03 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.554 -0.716 . . . . 0.0 109.245 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.7 m -74.06 -23.83 59.43 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.671 -0.643 . . . . 0.0 109.833 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.45 -43.59 66.39 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.409 -0.807 . . . . 0.0 109.615 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' ILE . 28.4 t -71.26 -32.58 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.49 -0.756 . . . . 0.0 109.693 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -75.7 -25.82 57.01 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.527 -0.733 . . . . 0.0 109.748 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.0 -43.63 21.36 Favored Glycine 0 N--CA 1.491 2.365 0 N-CA-C 109.414 -1.474 . . . . 0.0 109.414 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 12' ' ' VAL . 2.9 tt -63.02 -30.68 50.25 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.604 -0.939 . . . . 0.0 109.219 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.4 mt -75.96 -30.03 58.5 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.545 -0.722 . . . . 0.0 109.296 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -62.64 -37.2 85.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.484 -0.76 . . . . 0.0 109.414 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -84.54 -26.58 27.94 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.577 -0.702 . . . . 0.0 109.631 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -58.79 -61.46 2.6 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.452 -0.78 . . . . 0.0 109.763 -179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.97 -45.03 83.18 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.574 -0.704 . . . . 0.0 109.325 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 102.59 -31.87 8.22 Favored Glycine 0 N--CA 1.492 2.404 0 N-CA-C 109.579 -1.409 . . . . 0.0 109.579 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.73 -73.74 0.12 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.54 -0.976 . . . . 0.0 109.523 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.887 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -126.02 157.96 20.1 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.476 -1.45 . . . . 0.0 109.476 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.7 t -72.59 -15.67 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.55 -0.971 . . . . 0.0 110.207 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.5 t -65.67 -63.95 0.97 Allowed 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.27 -0.894 . . . . 0.0 109.731 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -64.81 -31.47 72.72 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.472 -0.767 . . . . 0.0 109.781 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 6' ' ' LEU . 1.3 mm? -72.34 -20.76 61.42 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.524 -0.735 . . . . 0.0 110.11 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.6 -51.82 10.88 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.286 -0.884 . . . . 0.0 109.729 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.5 tt -63.88 -36.76 77.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.522 -0.736 . . . . 0.0 109.603 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -65.68 -46.67 78.19 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.541 -0.724 . . . . 0.0 109.659 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.9 m -73.38 -15.6 61.36 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.636 -0.665 . . . . 0.0 110.53 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.26 -42.85 65.14 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.232 -0.918 . . . . 0.0 109.544 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 32.6 t -73.53 -62.39 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.615 -0.678 . . . . 0.0 109.504 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -61.95 -18.76 61.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.638 -0.664 . . . . 0.0 110.337 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.02 -43.67 26.06 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.902 -1.279 . . . . 0.0 109.902 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.8 mt -64.26 -37.49 80.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.753 0 O-C-N 121.488 -1.007 . . . . 0.0 109.588 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -75.17 -29.49 60.45 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.452 -0.78 . . . . 0.0 109.575 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 44.8 t80 -74.79 -25.75 59.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.513 -0.742 . . . . 0.0 109.872 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.41 -44.35 19.48 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.492 -0.755 . . . . 0.0 109.76 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.1 tp -61.34 -42.83 99.33 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.447 -0.783 . . . . 0.0 109.542 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 20' ' ' LEU . 4.6 mm? -76.41 -27.59 56.36 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.489 -0.757 . . . . 0.0 109.341 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -123.25 51.58 0.8 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 109.434 -1.467 . . . . 0.0 109.434 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.32 125.23 25.43 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.549 -0.971 . . . . 0.0 109.523 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.894 -1.754 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.67 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 106.63 35.73 2.77 Favored Glycine 0 N--CA 1.492 2.419 0 N-CA-C 109.631 -1.387 . . . . 0.0 109.631 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.42 -33.03 39.0 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.551 -0.97 . . . . 0.0 109.425 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -63.1 -48.0 80.46 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.578 -0.701 . . . . 0.0 109.241 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.438 ' HA ' HG22 ' A' ' 8' ' ' ILE . 12.0 mm-40 -70.09 -23.21 63.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.687 -0.633 . . . . 0.0 109.722 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' A' ' 6' ' ' LEU . 3.5 tp -71.53 -31.63 67.27 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.44 -0.788 . . . . 0.0 109.536 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -75.76 -50.94 13.79 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.587 -0.696 . . . . 0.0 109.696 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.438 HG22 ' HA ' ' A' ' 5' ' ' GLU . 4.4 tt -60.55 -32.19 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.547 -0.721 . . . . 0.0 109.641 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 t -69.2 -34.52 75.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.674 -0.641 . . . . 0.0 109.511 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 24.7 m -73.56 -29.52 62.48 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.597 -0.689 . . . . 0.0 109.695 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.55 -51.83 31.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.523 -0.735 . . . . 0.0 109.639 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.3 t -63.9 -31.49 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.535 -0.728 . . . . 0.0 109.511 -179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.02 -34.55 76.71 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.506 -0.746 . . . . 0.0 109.757 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.11 -34.14 85.48 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.19 -46.53 87.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.681 -0.893 . . . . 0.0 109.397 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.422 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.5 mm? -61.27 -27.43 68.46 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.638 -0.663 . . . . 0.0 109.732 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -67.25 -38.53 85.3 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.468 -0.77 . . . . 0.0 109.574 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.46 61.3 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.54 -0.725 . . . . 0.0 109.66 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.1 OUTLIER -66.7 -45.97 77.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.466 -0.771 . . . . 0.0 109.593 -179.718 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mt -64.61 -31.6 72.9 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.547 -0.72 . . . . 0.0 109.457 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -98.24 38.31 3.14 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -75.77 -167.18 0.66 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.647 -0.914 . . . . 0.0 109.62 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.629 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 140.05 -46.67 0.92 Allowed Glycine 0 N--CA 1.493 2.447 0 N-CA-C 109.542 -1.423 . . . . 0.0 109.542 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.86 -32.3 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.714 0 O-C-N 121.579 -0.954 . . . . 0.0 109.486 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 90.4 p -71.26 -47.94 54.03 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.555 -0.716 . . . . 0.0 109.47 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.04 -27.47 69.43 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.562 -0.711 . . . . 0.0 109.704 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.52 -27.06 51.59 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.505 -0.747 . . . . 0.0 109.824 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 tp -74.26 -36.67 63.85 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.571 -0.706 . . . . 0.0 109.952 -179.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' VAL . 40.4 mm -80.74 -28.58 11.48 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.39 -0.818 . . . . 0.0 109.742 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 t -78.8 -27.9 44.51 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.472 -0.768 . . . . 0.0 109.952 -179.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 10.2 t -78.56 -34.18 47.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.749 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.42 79.93 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.56 -0.713 . . . . 0.0 109.725 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' ILE . 39.5 t -70.47 -52.64 27.59 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.543 -0.723 . . . . 0.0 109.521 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.7 mp0 -60.3 -24.59 65.1 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.545 -0.722 . . . . 0.0 110.081 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.91 -45.84 55.42 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.954 -1.258 . . . . 0.0 109.954 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 29.4 mt -66.38 -33.01 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.547 -0.972 . . . . 0.0 109.575 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.4 mp -75.12 -26.14 58.99 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.518 -0.739 . . . . 0.0 109.845 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -68.27 -38.35 81.65 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.408 -0.808 . . . . 0.0 109.642 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -77.5 -32.42 54.16 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.557 -0.715 . . . . 0.0 109.824 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.74 -60.41 3.34 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.508 -0.745 . . . . 0.0 109.552 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 20' ' ' LEU . 10.7 mp -87.25 12.84 10.82 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.522 -0.736 . . . . 0.0 110.734 -179.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -91.21 -59.28 1.39 Allowed Glycine 0 N--CA 1.494 2.534 0 N-CA-C 109.499 -1.44 . . . . 0.0 109.499 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.38 -76.01 0.19 Allowed 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.569 -0.959 . . . . 0.0 109.388 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.903 -1.748 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.675 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.71 -55.14 0.04 OUTLIER Glycine 0 N--CA 1.493 2.47 0 N-CA-C 109.716 -1.353 . . . . 0.0 109.716 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.5 p -70.77 -30.96 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.571 -0.958 . . . . 0.0 109.489 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 49.2 m -62.65 -59.99 4.14 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.536 -0.728 . . . . 0.0 109.558 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.534 ' HA ' HD12 ' A' ' 8' ' ' ILE . 8.1 mm-40 -60.89 -22.81 64.68 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.569 -0.707 . . . . 0.0 109.992 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -54.82 34.47 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.329 -0.857 . . . . 0.0 109.691 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.54 -41.67 97.7 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.544 -0.723 . . . . 0.0 109.938 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.629 ' O ' HG23 ' A' ' 12' ' ' VAL . 29.8 mt -63.58 -24.73 36.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.485 -0.759 . . . . 0.0 109.833 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.84 -28.61 50.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.286 -0.884 . . . . 0.0 109.728 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 16.3 m -73.96 -32.69 63.57 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.593 -0.692 . . . . 0.0 109.767 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.01 56.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.468 -0.77 . . . . 0.0 109.671 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 8' ' ' ILE . 41.8 t -76.14 -26.62 17.42 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.577 -0.702 . . . . 0.0 109.599 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -74.96 -31.97 61.6 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.391 -0.818 . . . . 0.0 109.688 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.31 -49.46 26.03 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 109.776 -1.329 . . . . 0.0 109.776 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 11.6 mt -62.3 -41.86 93.2 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.485 -1.009 . . . . 0.0 109.515 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 12' ' ' VAL . 2.2 mp -67.45 -25.36 65.86 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.638 -0.664 . . . . 0.0 109.731 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -66.46 -40.23 89.27 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.443 -0.786 . . . . 0.0 109.405 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.06 -30.85 67.11 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.501 -0.749 . . . . 0.0 109.529 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 33.0 tp -72.82 -29.45 63.25 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.582 -0.699 . . . . 0.0 109.579 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.34 -32.88 72.25 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.603 -0.686 . . . . 0.0 109.384 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.42 94.47 Favored Glycine 0 N--CA 1.492 2.417 0 N-CA-C 109.564 -1.414 . . . . 0.0 109.564 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.6 109.89 6.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.623 -0.928 . . . . 0.0 109.577 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.342 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.659 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.12 -177.7 46.25 Favored Glycine 0 N--CA 1.492 2.415 0 N-CA-C 109.598 -1.401 . . . . 0.0 109.598 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.0 p -65.19 -25.74 38.08 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.952 . . . . 0.0 109.637 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.4 -56.81 14.65 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.448 -0.782 . . . . 0.0 109.753 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.82 -36.1 82.07 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.513 -0.742 . . . . 0.0 109.687 -179.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.27 -25.98 67.88 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.658 -0.651 . . . . 0.0 109.822 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.3 tp -77.4 -30.47 53.58 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.405 -0.809 . . . . 0.0 109.697 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 58.3 mt -72.99 -47.89 46.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.506 -0.746 . . . . 0.0 109.603 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t -60.92 -49.59 76.83 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.542 -0.724 . . . . 0.0 109.633 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 89.2 m -63.44 -25.19 68.16 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.634 -0.666 . . . . 0.0 109.475 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.48 -49.74 76.34 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.2 -0.937 . . . . 0.0 109.562 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.431 ' O ' HG22 ' A' ' 15' ' ' ILE . 33.5 t -68.73 -27.92 37.9 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 O-C-N 121.602 -0.686 . . . . 0.0 109.607 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -74.8 -21.12 59.48 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.41 -0.806 . . . . 0.0 110.079 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.58 -41.63 9.76 Favored Glycine 0 N--CA 1.492 2.391 0 N-CA-C 109.8 -1.32 . . . . 0.0 109.8 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG22 ' O ' ' A' ' 12' ' ' VAL . 1.4 tp -64.67 -32.26 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.569 -0.959 . . . . 0.0 109.466 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 60.6 mt -75.1 -40.45 59.98 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.587 -0.696 . . . . 0.0 109.543 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -23.39 64.65 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.6 -0.688 . . . . 0.0 109.878 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.87 -36.29 42.44 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.34 -0.85 . . . . 0.0 109.585 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -65.29 0.71 Allowed 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.554 -0.716 . . . . 0.0 109.531 -179.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.468 HD13 ' HA ' ' A' ' 20' ' ' LEU . 3.8 mm? -62.79 -39.09 93.17 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.539 -0.726 . . . . 0.0 109.545 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 63.45 32.22 83.42 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -77.44 -72.94 0.33 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.623 -0.928 . . . . 0.0 109.46 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.62 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.22 -47.48 0.05 OUTLIER Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 43.9 t -76.38 -46.39 32.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.608 -0.937 . . . . 0.0 109.381 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 26.7 m -63.08 -41.94 99.53 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.534 -0.729 . . . . 0.0 109.602 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -62.95 -31.2 72.25 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.48 -0.762 . . . . 0.0 109.574 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.6 mt -68.18 -30.97 70.2 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.592 -0.693 . . . . 0.0 109.537 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.3 tp -73.37 -30.79 63.54 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.554 -0.717 . . . . 0.0 109.641 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 44.5 mm -67.75 -42.22 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 O-C-N 121.628 -0.67 . . . . 0.0 109.298 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 t -66.25 -42.2 88.88 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.606 -0.684 . . . . 0.0 109.432 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.0 m -62.26 -26.7 68.54 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.515 -0.741 . . . . 0.0 109.777 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -72.81 -34.84 67.14 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.468 -0.77 . . . . 0.0 109.598 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 40.5 t -74.28 -68.3 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.61 -0.681 . . . . 0.0 109.614 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -60.68 -20.64 61.47 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.572 -0.705 . . . . 0.0 110.205 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.8 -49.8 52.36 Favored Glycine 0 N--CA 1.494 2.543 0 N-CA-C 109.888 -1.285 . . . . 0.0 109.888 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.6 mt -65.5 -43.91 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.465 -1.021 . . . . 0.0 109.363 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.09 -25.78 67.9 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.543 -0.723 . . . . 0.0 109.624 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -72.75 -33.12 66.16 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.469 -0.769 . . . . 0.0 109.5 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -24.46 56.78 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.573 -0.704 . . . . 0.0 110.039 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.67 -69.24 0.61 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.467 -0.771 . . . . 0.0 109.773 -179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.48 -12.34 61.05 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.505 -0.747 . . . . 0.0 110.498 -179.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -97.18 38.04 3.24 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.608 -1.397 . . . . 0.0 109.608 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.14 88.84 1.47 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.525 -0.985 . . . . 0.0 109.474 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.299 0 O-C-N 119.881 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.626 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 171.78 168.01 32.74 Favored Glycine 0 N--CA 1.492 2.382 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.3 p -62.22 -27.56 42.82 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.527 -0.984 . . . . 0.0 109.572 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 29.6 t -61.14 -48.05 83.41 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.477 -0.764 . . . . 0.0 109.728 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -63.17 -32.28 73.63 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.506 -0.746 . . . . 0.0 109.396 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.3 mp -71.24 -25.42 62.47 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.643 -0.661 . . . . 0.0 109.741 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 tp -70.07 -46.07 65.72 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.433 -0.792 . . . . 0.0 109.804 -179.755 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.4 mt -67.66 -33.01 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.524 -0.735 . . . . 0.0 109.742 -179.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 7.0 t -74.69 -27.0 60.22 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.555 -0.716 . . . . 0.0 109.836 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 25.9 m -84.86 -22.74 29.28 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.444 -0.785 . . . . 0.0 110.07 -179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.14 56.45 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.345 -0.847 . . . . 0.0 109.815 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' O ' HG22 ' A' ' 15' ' ' ILE . 29.9 t -81.26 -39.23 17.18 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 121.586 -0.696 . . . . 0.0 109.703 -179.745 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -73.43 -24.68 60.28 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.551 -0.718 . . . . 0.0 109.79 179.956 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.22 -44.12 12.07 Favored Glycine 0 N--CA 1.492 2.427 0 N-CA-C 109.824 -1.31 . . . . 0.0 109.824 -179.795 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 12' ' ' VAL . 6.3 tp -62.76 -31.46 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.579 -0.954 . . . . 0.0 109.53 -179.841 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 mt -80.94 -28.68 35.65 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.61 -0.681 . . . . 0.0 109.537 -179.99 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -67.64 -31.67 71.84 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.57 -0.706 . . . . 0.0 109.493 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.24 -34.6 37.01 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.536 -0.727 . . . . 0.0 109.72 -179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -62.51 -71.97 0.14 Allowed 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.555 -0.716 . . . . 0.0 109.567 -179.799 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.9 mp -65.15 -24.99 67.56 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.56 -0.713 . . . . 0.0 109.865 -179.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -96.2 37.45 3.43 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.41 -57.48 4.4 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.466 -1.02 . . . . 0.0 109.441 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.358 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_