data_6oc2_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6oc2 _Structure_validation_residue.Date_analyzed 2020-01-03 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' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 . . . . . 0 CA--C 1.474 -1.955 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.609 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -69.37 -37.65 77.7 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.353 0.743 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.273 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.412 -2.34 0 CA-C-O 121.749 0.785 . . . . 0.0 109.766 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -113.82 8.6 17.41 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 -178.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 61.4 ttt-85 -53.92 -28.7 38.39 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.718 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -66.43 -12.26 56.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -119.0 -68.43 0.92 Allowed 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 . . . . . 0 CA--C 1.477 -1.865 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.621 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.63 -36.56 78.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.45 -0.426 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.63 -179.339 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.7 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.429 -1.488 0 CA-C-O 121.772 0.796 . . . . 0.0 113.109 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.7 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.18 14.67 8.39 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -177.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 41.9 ttp180 -56.81 -32.33 65.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.581 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -61.15 -23.98 65.95 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 12' ' ' ILE . 99.0 m-85 -96.09 -68.99 0.77 Allowed 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 HG13 ' C ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.48 -1.736 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 . . . . . 0 CA--C 1.468 -2.202 0 N-CA-C 107.319 -1.364 . . . . 0.0 107.319 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.594 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -87.89 74.1 9.07 Favored 'General case' 0 N--CA 1.405 -2.704 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 7' ' ' PHE . 42.4 t . . . . . 0 C--N 1.305 -1.369 0 CA-C-N 112.887 -1.96 . . . . 0.0 106.317 176.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.488 -1.42 0 CA-C-O 121.92 0.867 . . . . 0.0 112.24 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -114.97 4.6 14.81 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 38.1 ttp180 -57.04 -15.59 5.49 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-N 113.291 -1.777 . . . . 0.0 109.441 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.55 -35.73 74.79 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.72 -62.26 1.53 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' ARG . 1.0 OUTLIER . . . . . 0 CA--C 1.487 -1.463 0 N-CA-C 103.714 -2.699 . . . . 0.0 103.714 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 . . . . . 0 CA--C 1.476 -1.88 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.86 -36.12 81.6 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.447 -0.587 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.728 -179.258 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.718 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.593 0 CA-C-O 121.68 0.752 . . . . 0.0 112.627 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.07 14.97 6.81 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -178.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 52.0 ttp180 -55.62 -32.61 63.27 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.283 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -62.56 -22.59 66.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -105.74 -77.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp . . . . . 0 CA--C 1.458 -2.593 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.498 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' A' ' 5' ' ' SER . 6.4 ptm180 . . . . . 0 N--CA 1.411 -2.397 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 25.2 mt 84.49 -34.64 0.06 Allowed 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.39 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 3' ' ' ARG . 15.8 t . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.765 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.33 13.89 7.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 48.8 ttp180 -58.0 -33.99 69.52 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.748 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -60.43 -23.85 64.74 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -94.39 -68.64 0.79 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.485 -1.539 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 CA--C 1.477 -1.849 0 CA-C-O 121.718 0.771 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.639 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.09 -34.45 76.42 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.588 0 CA-C-O 121.642 0.734 . . . . 0.0 112.956 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.27 11.84 5.95 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 -178.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 71.9 ttt-85 -57.22 -32.01 66.07 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.992 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -62.34 -23.63 66.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -107.62 -75.92 0.62 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.452 -2.791 0 CA-C-O 123.798 1.761 . . . . 0.0 108.246 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 . . . . . 0 CA--C 1.475 -1.938 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.631 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -69.64 -35.22 75.02 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.892 -178.685 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.722 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.601 0 CA-C-O 121.739 0.781 . . . . 0.0 112.848 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.722 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.34 12.21 7.0 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 67.4 ttt180 -56.49 -31.68 64.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.172 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -25.36 67.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.58 -78.23 0.56 Allowed 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pp . . . . . 0 CA--C 1.456 -2.66 0 CA-C-O 122.964 1.364 . . . . 0.0 107.477 179.161 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 . . . . . 0 CA--C 1.469 -2.136 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -81.59 69.94 8.36 Favored 'General case' 0 N--CA 1.41 -2.461 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 178.41 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.435 -1.202 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.714 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.414 -2.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -106.68 4.14 27.5 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 103.382 -2.822 . . . . 0.0 103.382 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 63.8 ttt-85 -55.17 -26.89 41.87 Favored 'General case' 0 C--N 1.367 1.357 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -61.81 -20.68 63.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -116.45 -63.15 1.49 Allowed 'General case' 0 C--N 1.359 0.998 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 9' ' ' ARG . 0.9 OUTLIER . . . . . 0 CA--C 1.485 -1.522 0 N-CA-C 102.932 -2.988 . . . . 0.0 102.932 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 CA--C 1.47 -2.132 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.692 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -68.42 -36.68 79.43 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 7' ' ' PHE . 55.3 m . . . . . 0 C--N 1.348 0.512 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.521 178.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.707 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.424 -1.737 0 CA-C-O 121.789 0.804 . . . . 0.0 112.549 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.63 15.45 5.4 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -178.332 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 75.0 ttt-85 -56.63 -32.64 65.53 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.458 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -69.62 -12.62 61.79 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -117.17 -78.51 0.58 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 CA--C 1.458 -2.567 0 CA-C-O 123.056 1.408 . . . . 0.0 108.656 179.895 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 . . . . . 0 CA--C 1.475 -1.938 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.627 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.94 -35.39 76.74 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.007 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.431 -1.397 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.51 13.08 7.55 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -179.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 45.3 ttp180 -55.51 -32.55 62.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.129 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -61.9 -20.71 64.04 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -112.9 -74.22 0.64 Allowed 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' CD1' ' C ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.393 -3.279 0 N-CA-C 102.535 -3.135 . . . . 0.0 102.535 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 CA--C 1.474 -1.955 0 CA-C-O 122.268 1.032 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.653 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -67.22 -36.82 82.49 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.444 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.735 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.581 0 CA-C-O 121.79 0.805 . . . . 0.0 112.71 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.735 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.11 14.13 6.75 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 68.5 ttt180 -56.42 -32.58 64.99 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.139 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -101.46 -78.49 0.53 Allowed 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 pp . . . . . 0 CA--C 1.459 -2.53 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.073 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 CA--C 1.475 -1.929 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -65.82 -37.67 86.88 Favored 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.351 0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.187 -179.092 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.706 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.414 -2.265 0 CA-C-O 121.386 0.612 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.706 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.8 3.52 7.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.652 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 8.8 ptm180 -59.63 -18.97 45.96 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -65.69 -16.74 64.04 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.6 -73.76 0.63 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.398 -3.037 0 N-CA-C 101.921 -3.363 . . . . 0.0 101.921 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 . . . . . 0 CA--C 1.475 -1.906 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -69.11 -35.95 77.0 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 CA--C 1.51 -0.561 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.116 -178.742 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.74 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.428 -1.538 0 CA-C-O 121.624 0.726 . . . . 0.0 112.701 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.74 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.7 8.89 4.57 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -178.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.538 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 17.6 ptm180 -59.34 -19.23 45.0 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.881 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.33 -27.81 69.58 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -100.27 -67.17 0.87 Allowed 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.1 pp . . . . . 0 CA--C 1.469 -2.16 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.436 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 . . . . . 0 CA--C 1.475 -1.927 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.641 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.46 -35.38 77.48 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.077 -179.264 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.698 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.698 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.1 13.31 8.37 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 104.87 -2.27 . . . . 0.0 104.87 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 50.3 ttp180 -57.7 -34.15 69.15 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.712 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -59.92 -26.71 66.15 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.32 -69.38 0.75 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.484 -1.594 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 . . . . . 0 CA--C 1.476 -1.871 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.633 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.61 -37.12 84.2 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.35 0.622 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.203 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.41 -2.441 0 CA-C-O 121.445 0.641 . . . . 0.0 110.655 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.25 7.53 15.26 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 -176.51 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 72.9 ttt-85 -58.82 -32.8 69.71 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.661 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -61.06 -23.4 65.43 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -98.75 -65.04 0.99 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.479 -1.787 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 CA--C 1.475 -1.928 0 CA-C-O 122.08 0.943 . . . . 0.0 108.496 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.627 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.15 -37.08 80.65 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.309 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.35 0.595 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.689 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.417 -2.085 0 CA-C-O 121.909 0.861 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.689 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.69 7.37 14.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 -178.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 17.8 ptm180 -58.56 -15.53 11.75 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -70.07 -12.33 61.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -125.37 -63.75 1.12 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER . . . . . 0 N--CA 1.432 -1.357 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 . . . . . 0 N--CA 1.413 -2.288 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.564 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.24 67.24 4.12 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 175.671 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.693 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.413 -2.312 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -111.92 6.92 19.77 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 53.5 ttp85 -55.17 -29.2 57.34 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.45 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.61 -12.11 56.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -118.12 -60.73 1.76 Allowed 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' O ' ' HA ' ' A' ' 9' ' ' ARG . 0.6 OUTLIER . . . . . 0 CA--C 1.489 -1.383 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 . . . . . 0 CA--C 1.473 -1.99 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -59.95 -38.99 84.05 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 178.476 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.51 -0.582 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.066 179.585 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.969 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -123.44 -1.86 8.54 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 76.0 ttt-85 -54.2 -10.5 0.37 Allowed 'General case' 0 C--N 1.366 1.304 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.035 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.68 -36.23 73.85 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -110.16 -64.34 1.27 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.417 -2.082 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.125 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 . . . . . 0 CA--C 1.474 -1.948 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.638 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.0 -35.92 79.13 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.92 -179.047 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.432 -1.34 0 CA-C-O 121.802 0.811 . . . . 0.0 112.688 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.43 13.37 8.81 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 65.6 ttt180 -54.06 -28.9 41.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.492 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -61.86 -22.17 65.3 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.16 -65.86 1.11 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.487 -1.48 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 179.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 . . . . . 0 CA--C 1.477 -1.834 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.628 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.41 -35.31 77.46 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.512 -0.502 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.126 -179.036 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.696 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . 0.696 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.13 14.45 7.84 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 70.2 ttt180 -55.84 -34.41 65.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.167 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -61.17 -20.39 62.67 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.65 -75.41 0.61 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.393 -3.29 0 N-CA-C 101.928 -3.36 . . . . 0.0 101.928 -178.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 120.356 0.122 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 97.9 mtp 68.55 -178.92 0.22 Allowed 'General case' 0 CA--C 1.491 -1.319 0 CA-C-O 122.043 0.925 . . . . 0.0 109.113 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -113.05 -55.71 2.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.286 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.609 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -69.37 -37.65 77.7 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t 45.26 -115.23 0.48 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -66.26 -114.92 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.34 0 CA-C-O 121.749 0.785 . . . . 0.0 109.766 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -113.82 8.6 17.41 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 -178.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.612 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 61.4 ttt-85 -53.92 -28.7 38.39 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.718 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -66.43 -12.26 56.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -119.0 -68.43 0.92 Allowed 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.522 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -161.85 -128.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 179.478 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.522 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 161.36 -27.37 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.6 mt-30 -70.27 138.45 51.61 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 122.118 0.961 . . . . 0.0 109.052 -178.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 -24.44 61.72 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.556 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.97 -39.0 93.13 Favored 'General case' 0 CA--C 1.498 -1.019 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.715 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.855 0.36 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.6 mmt -139.81 167.22 22.62 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -115.17 -56.59 2.35 Favored 'General case' 0 CA--C 1.477 -1.865 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.539 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.621 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.63 -36.56 78.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m 58.8 -100.86 0.11 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.63 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.7 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 13.71 -112.59 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.787 1.635 . . . . 0.0 113.109 -177.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.7 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.18 14.67 8.39 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -177.896 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.639 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 41.9 ttp180 -56.81 -32.33 65.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.581 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -61.15 -23.98 65.95 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.406 ' C ' HG13 ' A' ' 12' ' ' ILE . 99.0 m-85 -96.09 -68.99 0.77 Allowed 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.486 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -173.61 -34.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.48 -1.736 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.486 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 84.89 -27.85 0.09 Allowed 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 124.245 0.966 . . . . 0.0 108.789 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -73.05 173.94 8.61 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.506 1.146 . . . . 0.0 110.379 -177.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.516 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -111.45 -33.87 6.27 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.742 -176.555 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HE3' ' HZ3' ' A' ' 17' ' ' LYS . 61.5 pttt -73.32 -20.91 60.69 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.662 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.517 ' HZ3' ' HE3' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.652 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.747 0.308 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 55.8 mtt -133.65 153.84 51.37 Favored 'General case' 0 CA--C 1.474 -1.952 0 CA-C-O 122.229 1.014 . . . . 0.0 108.745 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -93.2 -51.05 5.2 Favored 'General case' 0 CA--C 1.468 -2.202 0 CA-C-N 114.002 -1.454 . . . . 0.0 107.319 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.594 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.2 OUTLIER -87.89 74.1 9.07 Favored 'General case' 0 N--CA 1.405 -2.704 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.474 ' C ' ' H ' ' A' ' 7' ' ' PHE . 42.4 t -109.21 106.84 16.87 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.887 -1.96 . . . . 0.0 106.317 176.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 4.5 -102.6 0.0 OUTLIER 'General case' 0 CA--C 1.488 -1.42 0 C-N-CA 126.638 1.975 . . . . 0.0 112.24 178.607 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -114.97 4.6 14.81 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 38.1 ttp180 -57.04 -15.59 5.49 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-N 113.291 -1.777 . . . . 0.0 109.441 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.55 -35.73 74.79 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.72 -62.26 1.53 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.53 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -161.34 -121.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.463 0 N-CA-C 103.714 -2.699 . . . . 0.0 103.714 -179.648 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.53 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 166.22 -18.22 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -179.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.418 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.9 tt0 81.41 -162.84 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 74.23 -74.36 0.09 Allowed 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.053 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.415 ' HE3' ' HE2' ' A' ' 17' ' ' LYS . 60.8 pttt -72.04 -16.9 62.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.525 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.415 ' HE2' ' HE3' ' A' ' 16' ' ' LYS . 75.3 mmtt . . . . . 0 C--O 1.262 1.722 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.204 0.526 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 mmt -136.29 162.13 33.85 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -105.37 -54.4 2.49 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.723 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.86 -36.12 81.6 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.29 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t 60.73 -104.65 0.18 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.728 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.718 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 17.97 -113.83 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 125.616 1.566 . . . . 0.0 112.627 -177.443 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.07 14.97 6.81 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -178.133 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.597 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 52.0 ttp180 -55.62 -32.61 63.27 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.283 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -62.56 -22.59 66.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -105.74 -77.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.6 pp -157.15 156.95 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.593 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 HD23 ' CE1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 175.64 56.99 0.0 OUTLIER 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 111.511 -2.586 . . . . 0.0 106.124 176.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -126.21 158.31 35.97 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.963 -1.926 . . . . 0.0 105.977 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.92 9.84 33.77 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -83.96 -17.39 40.76 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.262 1.714 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.534 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 12.1 ptt? -156.64 166.93 31.99 Favored 'General case' 0 CA--C 1.469 -2.162 0 CA-C-O 122.348 1.07 . . . . 0.0 108.556 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.532 ' C ' ' H ' ' A' ' 5' ' ' SER . 6.4 ptm180 -115.59 16.17 16.53 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 25.2 mt 84.49 -34.64 0.06 Allowed 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.39 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 3' ' ' ARG . 15.8 t 61.89 -116.17 0.59 Allowed 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.765 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.694 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -10.0 -105.2 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.463 1.905 . . . . 0.0 113.596 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.694 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.33 13.89 7.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.631 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 48.8 ttp180 -58.0 -33.99 69.52 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.748 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -60.43 -23.85 64.74 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -94.39 -68.64 0.79 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' C ' ' H ' ' A' ' 14' ' ' GLN . 0.9 OUTLIER -174.87 -28.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.485 -1.539 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.66 ' HG ' ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 82.15 -36.07 0.1 Allowed 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.488 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 71.85 -12.74 0.64 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 124.048 0.939 . . . . 0.0 112.598 174.92 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.66 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 mmt85 -73.48 -36.27 65.78 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' H ' ' CD2' ' A' ' 13' ' ' LEU . 26.7 ttpp -88.05 -19.25 27.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' HB2' ' HA ' ' A' ' 14' ' ' GLN . 75.6 mmtt . . . . . 0 C--O 1.262 1.749 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -132.46 158.17 42.74 Favored 'General case' 0 CA--C 1.48 -1.742 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -99.39 -53.73 3.14 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.22 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.09 -34.45 76.42 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t 62.0 -112.86 0.47 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.411 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 5.93 -108.28 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 126.476 1.91 . . . . 0.0 112.956 -179.397 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.27 11.84 5.95 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 -178.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 71.9 ttt-85 -57.22 -32.01 66.07 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.992 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -62.34 -23.63 66.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -107.62 -75.92 0.62 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.425 ' HB ' ' HG3' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -154.22 136.99 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.791 0 CA-C-O 123.798 1.761 . . . . 0.0 108.246 179.591 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -174.9 62.69 0.02 OUTLIER 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 110.447 -3.07 . . . . 0.0 105.62 175.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -92.22 -108.58 0.1 Allowed 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -28.6 3.34 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -67.68 -38.19 83.37 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.425 ' HG3' ' HB ' ' A' ' 12' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.689 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 120.889 0.376 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.5 mtt -133.44 158.34 43.3 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -115.26 -54.03 2.57 Favored 'General case' 0 CA--C 1.475 -1.938 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.331 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.631 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -69.64 -35.22 75.02 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m 61.72 -107.9 0.28 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.892 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.411 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.722 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 9.46 -108.77 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 C-N-CA 126.291 1.836 . . . . 0.0 112.848 -179.107 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.722 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.34 12.21 7.0 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.549 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 67.4 ttt180 -56.49 -31.68 64.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.172 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -25.36 67.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.58 -78.23 0.56 Allowed 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.1 pp -155.41 155.15 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.66 0 CA-C-O 122.964 1.364 . . . . 0.0 107.477 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.79 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 111.627 -2.533 . . . . 0.0 106.944 175.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -122.6 154.52 37.85 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 2.05 47.74 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -66.66 -38.87 87.72 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.764 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.178 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mmm -131.01 158.0 41.47 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -94.61 -59.88 1.83 Allowed 'General case' 0 CA--C 1.469 -2.136 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.494 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -81.59 69.94 8.36 Favored 'General case' 0 N--CA 1.41 -2.461 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 178.41 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -86.97 -66.77 0.87 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.17 -108.7 0.02 OUTLIER 'General case' 0 N--CA 1.414 -2.263 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.854 -177.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -106.68 4.14 27.5 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 103.382 -2.822 . . . . 0.0 103.382 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 63.8 ttt-85 -55.17 -26.89 41.87 Favored 'General case' 0 C--N 1.367 1.357 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -61.81 -20.68 63.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -116.45 -63.15 1.49 Allowed 'General case' 0 C--N 1.359 0.998 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -163.51 -124.95 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.485 -1.522 0 N-CA-C 102.932 -2.988 . . . . 0.0 102.932 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.587 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 166.35 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.1 tt0 81.67 160.99 0.15 Allowed 'General case' 0 C--N 1.363 1.174 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 1.6 mpt_? 81.22 -62.63 0.19 Allowed 'General case' 0 CA--C 1.489 -1.394 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' HZ3' ' HE2' ' A' ' 17' ' ' LYS . 28.0 ttpp -65.23 -33.63 76.45 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.486 ' HE2' ' HZ3' ' A' ' 16' ' ' LYS . 74.7 mmtt . . . . . 0 C--O 1.264 1.819 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.6 mtm -134.53 157.32 46.84 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-O 122.442 1.115 . . . . 0.0 108.06 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -130.36 -49.81 1.09 Allowed 'General case' 0 CA--C 1.47 -2.132 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.689 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.692 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -68.42 -36.68 79.43 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.457 ' O ' ' HB2' ' A' ' 6' ' ' ORN . 55.3 m 40.22 77.67 0.05 Allowed 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.521 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.457 ' HB2' ' O ' ' A' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.707 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 21.02 -110.63 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 125.277 1.431 . . . . 0.0 112.549 -179.311 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.707 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.63 15.45 5.4 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -178.332 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.591 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 75.0 ttt-85 -56.63 -32.64 65.53 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.458 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -69.62 -12.62 61.79 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -117.17 -78.51 0.58 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.3 mp -145.72 130.34 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.567 0 CA-C-O 123.056 1.408 . . . . 0.0 108.656 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 HD23 ' CE1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 173.92 39.38 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.134 0 CA-C-N 110.904 -2.862 . . . . 0.0 106.92 177.033 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -140.97 160.29 40.39 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.12 12.35 24.58 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.403 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -93.21 -6.13 48.42 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.8 mtmt . . . . . 0 C--O 1.261 1.696 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.399 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.761 0.315 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.2 mtt -132.69 156.74 46.43 Favored 'General case' 0 CA--C 1.481 -1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -116.21 -52.43 2.59 Favored 'General case' 0 CA--C 1.475 -1.938 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.329 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.94 -35.39 76.74 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t 61.04 -114.86 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER -4.11 -104.86 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 126.344 1.858 . . . . 0.0 113.354 -179.489 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.51 13.08 7.55 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -179.428 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 45.3 ttp180 -55.51 -32.55 62.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.129 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -61.9 -20.71 64.04 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -112.9 -74.22 0.64 Allowed 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -175.37 145.73 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.393 -3.279 0 N-CA-C 102.535 -3.135 . . . . 0.0 102.535 -179.005 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.476 ' N ' HG12 ' A' ' 12' ' ' ILE . 0.5 OUTLIER -119.52 -22.71 6.87 Favored 'General case' 0 N--CA 1.417 -2.117 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 65.42 66.15 0.54 Allowed 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.732 0.777 . . . . 0.0 110.774 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.36 -55.16 0.18 Allowed 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -96.63 -1.18 47.34 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--O 1.261 1.681 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -177.642 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.812 0.339 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 76.5 mtm -132.3 154.08 50.05 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-O 122.459 1.123 . . . . 0.0 108.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -70.22 -42.66 71.98 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 113.512 -1.676 . . . . 0.0 109.042 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.653 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -67.22 -36.82 82.49 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t 62.29 -111.53 0.41 Allowed 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.735 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 8.64 -108.31 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.581 0 C-N-CA 126.352 1.861 . . . . 0.0 112.71 -179.009 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.735 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.11 14.13 6.75 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.553 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 68.5 ttt180 -56.42 -32.58 64.99 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.139 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -101.46 -78.49 0.53 Allowed 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.7 pp -158.59 158.86 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.53 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 178.71 45.07 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 111.739 -2.482 . . . . 0.0 106.226 176.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -105.54 173.73 6.18 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.73 113.92 27.79 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? 62.41 52.43 3.02 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.759 1.266 . . . . 0.0 108.234 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.545 ' H ' ' CD ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.82 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.053 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.763 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.9 mtt -132.91 156.47 47.17 Favored 'General case' 0 CA--C 1.481 -1.681 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -114.55 -52.17 2.72 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.421 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.63 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -65.82 -37.67 86.88 Favored 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m 45.17 -109.38 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.187 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.706 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -65.55 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.925 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.706 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.8 3.52 7.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.652 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 8.8 ptm180 -59.63 -18.97 45.96 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -65.69 -16.74 64.04 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -116.6 -73.76 0.63 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 176.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 HG12 ' N ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -172.65 144.32 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.398 -3.037 0 N-CA-C 101.921 -3.363 . . . . 0.0 101.921 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.793 ' HG ' ' H ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -115.94 -21.86 9.31 Favored 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 52.01 14.46 0.33 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.379 1.072 . . . . 0.0 113.382 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.793 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 1.9 mpt_? -104.53 -18.54 14.32 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.53 11.03 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 C--O 1.261 1.71 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -178.776 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.3 mtt -133.03 159.09 41.07 Favored 'General case' 0 CA--C 1.479 -1.763 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -114.23 -55.21 2.52 Favored 'General case' 0 CA--C 1.475 -1.906 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.504 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -69.11 -35.95 77.0 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.409 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m 61.33 -107.09 0.26 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.116 -178.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.74 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 8.34 -106.69 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.146 1.778 . . . . 0.0 112.701 -178.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.74 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.7 8.89 4.57 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -178.499 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.538 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 17.6 ptm180 -59.34 -19.23 45.0 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.881 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.33 -27.81 69.58 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 97.9 m-85 -100.27 -67.17 0.87 Allowed 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 177.498 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG22 ' HE ' ' A' ' 15' ' ' ARG . 1.1 pp -172.07 160.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.469 -2.16 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.475 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 167.25 49.74 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 111.444 -2.616 . . . . 0.0 106.03 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -126.01 2.71 7.28 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.783 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.574 ' HE ' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -119.52 -147.57 0.4 Allowed 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -178.963 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -66.69 -14.05 62.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.435 ' CE ' ' HA ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER . . . . . 0 C--O 1.261 1.688 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.354 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.955 0.407 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -133.16 156.67 47.04 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -115.43 -52.6 2.65 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.313 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.641 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.46 -35.38 77.48 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 60.89 -112.66 0.52 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.077 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.698 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -6.22 -106.22 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.371 0 C-N-CA 126.508 1.923 . . . . 0.0 113.555 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.698 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.1 13.31 8.37 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 104.87 -2.27 . . . . 0.0 104.87 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.644 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 50.3 ttp180 -57.7 -34.15 69.15 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.712 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -59.92 -26.71 66.15 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.32 -69.38 0.75 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.414 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -172.19 -32.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.594 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.061 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.414 ' HB3' ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 86.12 -23.92 0.14 Allowed 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.42 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 4.4 tt0 73.13 -153.98 0.07 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.2 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -62.95 -35.52 80.41 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.685 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.143 0.496 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.79 157.73 44.24 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -102.94 -53.15 2.9 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.536 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.633 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.61 -37.12 84.2 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t 45.94 -111.1 0.28 Allowed 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.203 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -68.95 -117.85 0.0 OUTLIER 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.655 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.25 7.53 15.26 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 -176.51 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 72.9 ttt-85 -58.82 -32.8 69.71 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.661 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -61.06 -23.4 65.43 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -98.75 -65.04 0.99 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -162.87 -48.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.505 ' C ' ' CD1' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 89.55 -22.18 0.12 Allowed 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 124.337 1.023 . . . . 0.0 108.765 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.646 ' HB3' ' H ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -78.03 177.76 8.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.139 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.32 -21.68 11.73 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -124.78 -10.64 7.26 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.646 ' H ' ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.816 0 C-N-CA 124.261 1.024 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.2 mtm -133.72 156.73 47.42 Favored 'General case' 0 CA--C 1.479 -1.775 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -111.77 -54.4 2.61 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.496 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.627 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.15 -37.08 80.65 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.309 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t 50.97 -118.26 1.22 Allowed 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.689 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -54.96 -108.29 0.0 OUTLIER 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.335 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.689 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.69 7.37 14.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 -178.546 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.613 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 17.8 ptm180 -58.56 -15.53 11.75 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -70.07 -12.33 61.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.4 t80 -125.37 -63.75 1.12 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.565 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -165.06 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.565 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 155.78 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 -178.427 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.427 ' HB3' ' HE3' ' A' ' 17' ' ' LYS . 4.0 tt0 27.73 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.359 0.983 0 C-N-CA 125.006 1.322 . . . . 0.0 112.06 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.492 ' H ' ' HE3' ' A' ' 17' ' ' LYS . 1.4 mpt_? -128.26 -83.65 0.59 Allowed 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -79.82 -6.76 57.96 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.775 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.492 ' HE3' ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.663 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.879 0.371 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.9 mtp -130.5 148.45 52.31 Favored 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -108.76 -22.58 12.16 Favored 'General case' 0 N--CA 1.413 -2.288 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.599 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.564 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.24 67.24 4.12 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -87.3 -73.66 0.47 Allowed 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 175.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.693 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.44 -111.02 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.593 -178.322 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.693 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -111.92 6.92 19.77 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.604 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 53.5 ttp85 -55.17 -29.2 57.34 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.45 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.61 -12.11 56.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -118.12 -60.73 1.76 Allowed 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -171.18 -120.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.477 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 155.55 -24.38 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -178.709 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.9 mp0 -67.14 147.43 53.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 122.05 0.929 . . . . 0.0 109.306 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.21 -1.25 57.91 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.64 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.72 -12.99 18.67 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.261 1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -178.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 59.8 mtt -132.57 158.37 42.35 Favored 'General case' 0 CA--C 1.481 -1.68 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -109.05 -53.25 2.67 Favored 'General case' 0 CA--C 1.473 -1.99 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.213 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.59 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -59.95 -38.99 84.05 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 178.476 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m 59.12 -102.66 0.15 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.066 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.664 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -10.16 -101.59 0.0 OUTLIER 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 127.244 2.218 . . . . 0.0 112.219 178.012 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.664 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -123.44 -1.86 8.54 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 76.0 ttt-85 -54.2 -10.5 0.37 Allowed 'General case' 0 C--N 1.366 1.304 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.035 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.68 -36.23 73.85 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -110.16 -64.34 1.27 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 pp -155.63 -169.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.417 -2.082 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -166.16 -18.61 0.02 OUTLIER 'General case' 0 N--CA 1.424 -1.775 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.368 -178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -75.88 156.58 34.18 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.985 0.898 . . . . 0.0 109.39 -178.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -0.85 42.79 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.192 -177.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -87.07 -9.71 54.74 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.666 0 CA-C-O 117.886 -1.054 . . . . 0.0 108.328 -177.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.77 0.319 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -133.27 156.13 48.12 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -113.08 -53.13 2.74 Favored 'General case' 0 CA--C 1.474 -1.948 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.37 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -68.0 -35.92 79.13 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t 61.48 -112.67 0.49 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.92 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 2.97 -105.76 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.34 0 C-N-CA 126.111 1.764 . . . . 0.0 112.688 -178.805 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.43 13.37 8.81 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 65.6 ttt180 -54.06 -28.9 41.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.492 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -61.86 -22.17 65.3 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -109.16 -65.86 1.11 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.612 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -167.42 -116.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.48 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 179.28 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.612 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 160.24 -16.05 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -178.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.453 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 25.0 mt-30 77.68 -152.49 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HD3' ' HB2' ' A' ' 14' ' ' GLN . 0.7 OUTLIER 67.76 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.877 177.305 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -69.21 -17.6 63.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.453 ' HB2' ' HA ' ' A' ' 14' ' ' GLN . 0.5 OUTLIER . . . . . 0 C--O 1.263 1.777 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.481 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.749 0.309 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.5 mtt -132.37 156.99 45.65 Favored 'General case' 0 CA--C 1.48 -1.727 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -117.88 -52.68 2.42 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.628 ' CD1' ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.41 -35.31 77.46 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 61.04 -109.62 0.39 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.126 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ORN . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.696 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 1.17 -105.84 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.333 1.853 . . . . 0.0 113.183 -179.281 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.696 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.13 14.45 7.84 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 70.2 ttt180 -55.84 -34.41 65.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.167 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -61.17 -20.39 62.67 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -112.65 -75.41 0.61 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.493 HG12 ' N ' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -174.14 146.0 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.393 -3.29 0 N-CA-C 101.928 -3.36 . . . . 0.0 101.928 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.493 ' N ' HG12 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -118.42 -25.58 6.48 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 76.92 -45.08 0.48 Allowed 'General case' 0 C--N 1.358 0.952 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -40.06 93.89 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.937 -0.477 . . . . 0.0 111.524 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.404 ' HB3' HD22 ' A' ' 13' ' ' LEU . 35.8 ttpt -87.89 -13.58 41.59 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.263 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 . . . . . 0 CA--C 1.474 -1.955 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.952 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.37 -37.65 77.7 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.353 0.743 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.273 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.412 -2.34 0 CA-C-O 121.749 0.785 . . . . 0.0 109.766 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -113.82 8.6 17.41 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 -178.343 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 61.4 ttt-85 -53.92 -28.7 38.39 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.718 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -66.43 -12.26 56.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' ILE . 10.7 t80 -119.0 -68.43 0.92 Allowed 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 . . . . . 0 CA--C 1.477 -1.865 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.933 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.63 -36.56 78.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.45 -0.426 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.63 -179.339 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.429 -1.488 0 CA-C-O 121.772 0.796 . . . . 0.0 113.109 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.18 14.67 8.39 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -177.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 41.9 ttp180 -56.81 -32.33 65.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.581 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -61.15 -23.98 65.95 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.0 m-85 -96.09 -68.99 0.77 Allowed 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.48 -1.736 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 . . . . . 0 CA--C 1.468 -2.202 0 N-CA-C 107.319 -1.364 . . . . 0.0 107.319 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -87.89 74.1 9.07 Favored 'General case' 0 N--CA 1.405 -2.704 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.305 -1.369 0 CA-C-N 112.887 -1.96 . . . . 0.0 106.317 176.066 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.488 -1.42 0 CA-C-O 121.92 0.867 . . . . 0.0 112.24 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -114.97 4.6 14.81 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 38.1 ttp180 -57.04 -15.59 5.49 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-N 113.291 -1.777 . . . . 0.0 109.441 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -59.55 -35.73 74.79 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.2 m-85 -109.72 -62.26 1.53 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 CA--C 1.487 -1.463 0 N-CA-C 103.714 -2.699 . . . . 0.0 103.714 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 . . . . . 0 CA--C 1.476 -1.88 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.86 -36.12 81.6 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.29 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.447 -0.587 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.728 -179.258 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.593 0 CA-C-O 121.68 0.752 . . . . 0.0 112.627 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.716 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.07 14.97 6.81 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -178.133 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 52.0 ttp180 -55.62 -32.61 63.27 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.283 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -62.56 -22.59 66.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -105.74 -77.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.6 pp . . . . . 0 CA--C 1.458 -2.593 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 5' ' ' SER . 6.4 ptm180 . . . . . 0 N--CA 1.411 -2.397 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 25.2 mt 84.49 -34.64 0.06 Allowed 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.39 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 3' ' ' ARG . 15.8 t . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.765 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.711 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.33 13.89 7.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 48.8 ttp180 -58.0 -33.99 69.52 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.748 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -60.43 -23.85 64.74 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.6 m-85 -94.39 -68.64 0.79 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.485 -1.539 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 CA--C 1.477 -1.849 0 CA-C-O 121.718 0.771 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.973 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.09 -34.45 76.42 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.86 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.588 0 CA-C-O 121.642 0.734 . . . . 0.0 112.956 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.27 11.84 5.95 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 -178.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 71.9 ttt-85 -57.22 -32.01 66.07 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.992 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -62.34 -23.63 66.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -107.62 -75.92 0.62 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.452 -2.791 0 CA-C-O 123.798 1.761 . . . . 0.0 108.246 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 . . . . . 0 CA--C 1.475 -1.938 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.933 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.64 -35.22 75.02 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.892 -178.685 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.601 0 CA-C-O 121.739 0.781 . . . . 0.0 112.848 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.34 12.21 7.0 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 67.4 ttt180 -56.49 -31.68 64.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.172 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -25.36 67.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.58 -78.23 0.56 Allowed 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.1 pp . . . . . 0 CA--C 1.456 -2.66 0 CA-C-O 122.964 1.364 . . . . 0.0 107.477 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 . . . . . 0 CA--C 1.469 -2.136 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -81.59 69.94 8.36 Favored 'General case' 0 N--CA 1.41 -2.461 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 178.41 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.435 -1.202 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.714 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.414 -2.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -106.68 4.14 27.5 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 103.382 -2.822 . . . . 0.0 103.382 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 63.8 ttt-85 -55.17 -26.89 41.87 Favored 'General case' 0 C--N 1.367 1.357 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -61.81 -20.68 63.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.9 m-85 -116.45 -63.15 1.49 Allowed 'General case' 0 C--N 1.359 0.998 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.485 -1.522 0 N-CA-C 102.932 -2.988 . . . . 0.0 102.932 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 CA--C 1.47 -2.132 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -68.42 -36.68 79.43 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.348 0.512 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.521 178.091 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.424 -1.737 0 CA-C-O 121.789 0.804 . . . . 0.0 112.549 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.63 15.45 5.4 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -178.332 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 75.0 ttt-85 -56.63 -32.64 65.53 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.458 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -69.62 -12.62 61.79 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 12' ' ' ILE . 99.5 m-85 -117.17 -78.51 0.58 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 11' ' ' PHE . 3.3 mp . . . . . 0 CA--C 1.458 -2.567 0 CA-C-O 123.056 1.408 . . . . 0.0 108.656 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 . . . . . 0 CA--C 1.475 -1.938 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.961 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.94 -35.39 76.74 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.007 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.717 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.431 -1.397 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.717 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.51 13.08 7.55 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -179.428 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 45.3 ttp180 -55.51 -32.55 62.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.129 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -61.9 -20.71 64.04 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' C ' HG22 ' A' ' 12' ' ' ILE . 99.0 m-85 -112.9 -74.22 0.64 Allowed 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.555 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.393 -3.279 0 N-CA-C 102.535 -3.135 . . . . 0.0 102.535 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 CA--C 1.474 -1.955 0 CA-C-O 122.268 1.032 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.673 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -67.22 -36.82 82.49 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.444 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.722 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.581 0 CA-C-O 121.79 0.805 . . . . 0.0 112.71 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.722 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.11 14.13 6.75 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 68.5 ttt180 -56.42 -32.58 64.99 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.139 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -101.46 -78.49 0.53 Allowed 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.7 pp . . . . . 0 CA--C 1.459 -2.53 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 CA--C 1.475 -1.929 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.911 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.82 -37.67 86.88 Favored 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.351 0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.187 -179.092 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.718 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.414 -2.265 0 CA-C-O 121.386 0.612 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.8 3.52 7.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.643 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 8.8 ptm180 -59.63 -18.97 45.96 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -65.69 -16.74 64.04 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 12' ' ' ILE . 97.3 m-85 -116.6 -73.76 0.63 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.645 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.398 -3.037 0 N-CA-C 101.921 -3.363 . . . . 0.0 101.921 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 . . . . . 0 CA--C 1.475 -1.906 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.942 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.11 -35.95 77.0 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.409 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 CA--C 1.51 -0.561 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.116 -178.742 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.428 -1.538 0 CA-C-O 121.624 0.726 . . . . 0.0 112.701 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.736 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.7 8.89 4.57 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -178.499 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 17.6 ptm180 -59.34 -19.23 45.0 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.881 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.33 -27.81 69.58 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 12' ' ' ILE . 97.9 m-85 -100.27 -67.17 0.87 Allowed 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.1 pp . . . . . 0 CA--C 1.469 -2.16 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 . . . . . 0 CA--C 1.475 -1.927 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.934 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.46 -35.38 77.48 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.077 -179.264 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.1 13.31 8.37 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 104.87 -2.27 . . . . 0.0 104.87 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 50.3 ttp180 -57.7 -34.15 69.15 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.712 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -59.92 -26.71 66.15 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.32 -69.38 0.75 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.484 -1.594 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 . . . . . 0 CA--C 1.476 -1.871 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.962 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.61 -37.12 84.2 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.35 0.622 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.203 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.668 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.41 -2.441 0 CA-C-O 121.445 0.641 . . . . 0.0 110.655 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.25 7.53 15.26 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 -176.51 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.668 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 72.9 ttt-85 -58.82 -32.8 69.71 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.661 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -61.06 -23.4 65.43 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -98.75 -65.04 0.99 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.479 -1.787 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 CA--C 1.475 -1.928 0 CA-C-O 122.08 0.943 . . . . 0.0 108.496 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.914 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.15 -37.08 80.65 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.309 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.35 0.595 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.417 -2.085 0 CA-C-O 121.909 0.861 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.69 7.37 14.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 -178.546 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 17.8 ptm180 -58.56 -15.53 11.75 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -70.07 -12.33 61.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' ILE . 11.4 t80 -125.37 -63.75 1.12 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.432 -1.357 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 . . . . . 0 N--CA 1.413 -2.288 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.95 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.24 67.24 4.12 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 175.671 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.413 -2.312 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -111.92 6.92 19.77 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 53.5 ttp85 -55.17 -29.2 57.34 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.45 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.61 -12.11 56.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.5 m-85 -118.12 -60.73 1.76 Allowed 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 CA--C 1.489 -1.383 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 . . . . . 0 CA--C 1.473 -1.99 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -59.95 -38.99 84.05 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 178.476 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.51 -0.582 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.066 179.585 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.969 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -123.44 -1.86 8.54 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 76.0 ttt-85 -54.2 -10.5 0.37 Allowed 'General case' 0 C--N 1.366 1.304 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.035 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 95.8 m-20 -58.68 -36.23 73.85 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -110.16 -64.34 1.27 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.417 -2.082 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.125 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 . . . . . 0 CA--C 1.474 -1.948 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.0 -35.92 79.13 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.92 -179.047 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.432 -1.34 0 CA-C-O 121.802 0.811 . . . . 0.0 112.688 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.43 13.37 8.81 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 65.6 ttt180 -54.06 -28.9 41.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.492 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -61.86 -22.17 65.3 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.2 m-85 -109.16 -65.86 1.11 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.487 -1.48 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 . . . . . 0 CA--C 1.477 -1.834 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.943 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.41 -35.31 77.46 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.512 -0.502 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.126 -179.036 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.13 14.45 7.84 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.628 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 70.2 ttt180 -55.84 -34.41 65.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.167 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -61.17 -20.39 62.67 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.494 ' C ' HG22 ' A' ' 12' ' ' ILE . 98.3 m-85 -112.65 -75.41 0.61 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.393 -3.29 0 N-CA-C 101.928 -3.36 . . . . 0.0 101.928 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 120.356 0.122 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 97.9 mtp 68.55 -178.92 0.22 Allowed 'General case' 0 CA--C 1.491 -1.319 0 CA-C-O 122.043 0.925 . . . . 0.0 109.113 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -113.05 -55.71 2.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.286 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.952 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.37 -37.65 77.7 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t 45.26 -115.23 0.48 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -66.26 -114.92 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.34 0 CA-C-O 121.749 0.785 . . . . 0.0 109.766 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -113.82 8.6 17.41 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 -178.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 61.4 ttt-85 -53.92 -28.7 38.39 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.718 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -66.43 -12.26 56.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' ILE . 10.7 t80 -119.0 -68.43 0.92 Allowed 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.635 HD12 ' N ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -161.85 -128.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 179.478 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 161.36 -27.37 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' N ' HD23 ' A' ' 13' ' ' LEU . 35.6 mt-30 -70.27 138.45 51.61 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 122.118 0.961 . . . . 0.0 109.052 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 -24.44 61.72 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.556 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.97 -39.0 93.13 Favored 'General case' 0 CA--C 1.498 -1.019 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.715 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.855 0.36 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.6 mmt -139.81 167.22 22.62 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -115.17 -56.59 2.35 Favored 'General case' 0 CA--C 1.477 -1.865 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.539 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.933 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.63 -36.56 78.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m 58.8 -100.86 0.11 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.63 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 13.71 -112.59 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.787 1.635 . . . . 0.0 113.109 -177.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.18 14.67 8.39 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -177.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 41.9 ttp180 -56.81 -32.33 65.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.581 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -61.15 -23.98 65.95 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.0 m-85 -96.09 -68.99 0.77 Allowed 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -173.61 -34.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.48 -1.736 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 84.89 -27.85 0.09 Allowed 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 124.245 0.966 . . . . 0.0 108.789 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.598 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.4 mp0 -73.05 173.94 8.61 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.506 1.146 . . . . 0.0 110.379 -177.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -111.45 -33.87 6.27 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.742 -176.555 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -73.32 -20.91 60.69 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.652 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.747 0.308 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 55.8 mtt -133.65 153.84 51.37 Favored 'General case' 0 CA--C 1.474 -1.952 0 CA-C-O 122.229 1.014 . . . . 0.0 108.745 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -93.2 -51.05 5.2 Favored 'General case' 0 CA--C 1.468 -2.202 0 CA-C-N 114.002 -1.454 . . . . 0.0 107.319 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -87.89 74.1 9.07 Favored 'General case' 0 N--CA 1.405 -2.704 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 7' ' ' PHE . 42.4 t -109.21 106.84 16.87 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.887 -1.96 . . . . 0.0 106.317 176.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 4.5 -102.6 0.0 OUTLIER 'General case' 0 CA--C 1.488 -1.42 0 C-N-CA 126.638 1.975 . . . . 0.0 112.24 178.607 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -114.97 4.6 14.81 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 38.1 ttp180 -57.04 -15.59 5.49 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-N 113.291 -1.777 . . . . 0.0 109.441 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.55 -35.73 74.79 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.2 m-85 -109.72 -62.26 1.53 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD12 ' N ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -161.34 -121.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.463 0 N-CA-C 103.714 -2.699 . . . . 0.0 103.714 -179.648 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 166.22 -18.22 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -179.131 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.9 tt0 81.41 -162.84 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 74.23 -74.36 0.09 Allowed 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.053 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -72.04 -16.9 62.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.262 1.722 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.535 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.204 0.526 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 mmt -136.29 162.13 33.85 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -105.37 -54.4 2.49 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.723 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.86 -36.12 81.6 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.29 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t 60.73 -104.65 0.18 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.728 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 17.97 -113.83 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 125.616 1.566 . . . . 0.0 112.627 -177.443 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.716 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.07 14.97 6.81 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -178.133 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 52.0 ttp180 -55.62 -32.61 63.27 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.283 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -62.56 -22.59 66.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -105.74 -77.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.6 pp -157.15 156.95 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.593 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 175.64 56.99 0.0 OUTLIER 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 111.511 -2.586 . . . . 0.0 106.124 176.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -126.21 158.31 35.97 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.963 -1.926 . . . . 0.0 105.977 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.92 9.84 33.77 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -83.96 -17.39 40.76 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.262 1.714 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.509 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 12.1 ptt? -156.64 166.93 31.99 Favored 'General case' 0 CA--C 1.469 -2.162 0 CA-C-O 122.348 1.07 . . . . 0.0 108.556 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 5' ' ' SER . 6.4 ptm180 -115.59 16.17 16.53 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 25.2 mt 84.49 -34.64 0.06 Allowed 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.39 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 3' ' ' ARG . 15.8 t 61.89 -116.17 0.59 Allowed 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.765 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -10.0 -105.2 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.463 1.905 . . . . 0.0 113.596 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.711 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.33 13.89 7.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 48.8 ttp180 -58.0 -33.99 69.52 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.748 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -60.43 -23.85 64.74 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.6 m-85 -94.39 -68.64 0.79 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.569 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -174.87 -28.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.485 -1.539 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.685 ' HG ' ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 82.15 -36.07 0.1 Allowed 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 71.85 -12.74 0.64 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 124.048 0.939 . . . . 0.0 112.598 174.92 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 mmt85 -73.48 -36.27 65.78 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.578 ' H ' HD21 ' A' ' 13' ' ' LEU . 26.7 ttpp -88.05 -19.25 27.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 14' ' ' GLN . 75.6 mmtt . . . . . 0 C--O 1.262 1.749 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -132.46 158.17 42.74 Favored 'General case' 0 CA--C 1.48 -1.742 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -99.39 -53.73 3.14 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.22 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.973 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.09 -34.45 76.42 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t 62.0 -112.86 0.47 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.411 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 5.93 -108.28 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 126.476 1.91 . . . . 0.0 112.956 -179.397 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.27 11.84 5.95 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 -178.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 71.9 ttt-85 -57.22 -32.01 66.07 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.992 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -62.34 -23.63 66.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -107.62 -75.92 0.62 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -154.22 136.99 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.791 0 CA-C-O 123.798 1.761 . . . . 0.0 108.246 179.591 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -174.9 62.69 0.02 OUTLIER 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 110.447 -3.07 . . . . 0.0 105.62 175.727 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -92.22 -108.58 0.1 Allowed 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -28.6 3.34 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -67.68 -38.19 83.37 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.689 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 120.889 0.376 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.5 mtt -133.44 158.34 43.3 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -115.26 -54.03 2.57 Favored 'General case' 0 CA--C 1.475 -1.938 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.331 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.933 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.64 -35.22 75.02 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m 61.72 -107.9 0.28 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.892 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.411 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 9.46 -108.77 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 C-N-CA 126.291 1.836 . . . . 0.0 112.848 -179.107 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.34 12.21 7.0 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 67.4 ttt180 -56.49 -31.68 64.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.172 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -25.36 67.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.58 -78.23 0.56 Allowed 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.1 pp -155.41 155.15 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.66 0 CA-C-O 122.964 1.364 . . . . 0.0 107.477 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.79 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 111.627 -2.533 . . . . 0.0 106.944 175.878 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -122.6 154.52 37.85 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 2.05 47.74 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -66.66 -38.87 87.72 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.764 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.178 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mmm -131.01 158.0 41.47 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -94.61 -59.88 1.83 Allowed 'General case' 0 CA--C 1.469 -2.136 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -81.59 69.94 8.36 Favored 'General case' 0 N--CA 1.41 -2.461 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 178.41 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -86.97 -66.77 0.87 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.17 -108.7 0.02 OUTLIER 'General case' 0 N--CA 1.414 -2.263 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.854 -177.604 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -106.68 4.14 27.5 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 103.382 -2.822 . . . . 0.0 103.382 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 63.8 ttt-85 -55.17 -26.89 41.87 Favored 'General case' 0 C--N 1.367 1.357 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -61.81 -20.68 63.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.9 m-85 -116.45 -63.15 1.49 Allowed 'General case' 0 C--N 1.359 0.998 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.7 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -163.51 -124.95 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.485 -1.522 0 N-CA-C 102.932 -2.988 . . . . 0.0 102.932 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 166.35 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.1 tt0 81.67 160.99 0.15 Allowed 'General case' 0 C--N 1.363 1.174 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 1.6 mpt_? 81.22 -62.63 0.19 Allowed 'General case' 0 CA--C 1.489 -1.394 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -65.23 -33.63 76.45 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HE3' HG22 ' A' ' 12' ' ' ILE . 74.7 mmtt . . . . . 0 C--O 1.264 1.819 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.6 mtm -134.53 157.32 46.84 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-O 122.442 1.115 . . . . 0.0 108.06 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -130.36 -49.81 1.09 Allowed 'General case' 0 CA--C 1.47 -2.132 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.689 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -68.42 -36.68 79.43 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 7' ' ' PHE . 55.3 m 40.22 77.67 0.05 Allowed 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.521 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER 21.02 -110.63 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 125.277 1.431 . . . . 0.0 112.549 -179.311 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.63 15.45 5.4 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -178.332 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 75.0 ttt-85 -56.63 -32.64 65.53 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.458 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -69.62 -12.62 61.79 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 12' ' ' ILE . 99.5 m-85 -117.17 -78.51 0.58 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 17' ' ' LYS . 3.3 mp -145.72 130.34 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.567 0 CA-C-O 123.056 1.408 . . . . 0.0 108.656 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 173.92 39.38 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.134 0 CA-C-N 110.904 -2.862 . . . . 0.0 106.92 177.033 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -140.97 160.29 40.39 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.12 12.35 24.58 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.403 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -93.21 -6.13 48.42 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 12' ' ' ILE . 9.8 mtmt . . . . . 0 C--O 1.261 1.696 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.761 0.315 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.2 mtt -132.69 156.74 46.43 Favored 'General case' 0 CA--C 1.481 -1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -116.21 -52.43 2.59 Favored 'General case' 0 CA--C 1.475 -1.938 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.329 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.961 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.94 -35.39 76.74 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t 61.04 -114.86 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.833 ' CE1' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -4.11 -104.86 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 126.344 1.858 . . . . 0.0 113.354 -179.489 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.717 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.51 13.08 7.55 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -179.428 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 45.3 ttp180 -55.51 -32.55 62.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.129 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -61.9 -20.71 64.04 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' C ' HG22 ' A' ' 12' ' ' ILE . 99.0 m-85 -112.9 -74.22 0.64 Allowed 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.555 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -175.37 145.73 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.393 -3.279 0 N-CA-C 102.535 -3.135 . . . . 0.0 102.535 -179.005 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.833 HD13 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -119.52 -22.71 6.87 Favored 'General case' 0 N--CA 1.417 -2.117 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 65.42 66.15 0.54 Allowed 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.732 0.777 . . . . 0.0 110.774 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.36 -55.16 0.18 Allowed 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -96.63 -1.18 47.34 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--O 1.261 1.681 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -177.642 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.812 0.339 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 76.5 mtm -132.3 154.08 50.05 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-O 122.459 1.123 . . . . 0.0 108.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -70.22 -42.66 71.98 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 113.512 -1.676 . . . . 0.0 109.042 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.673 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -67.22 -36.82 82.49 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t 62.29 -111.53 0.41 Allowed 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.722 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 8.64 -108.31 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.581 0 C-N-CA 126.352 1.861 . . . . 0.0 112.71 -179.009 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.722 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.11 14.13 6.75 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 68.5 ttt180 -56.42 -32.58 64.99 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.139 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -101.46 -78.49 0.53 Allowed 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.707 HD13 ' HD2' ' A' ' 17' ' ' LYS . 2.7 pp -158.59 158.86 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.53 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.71 45.07 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 111.739 -2.482 . . . . 0.0 106.226 176.219 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -105.54 173.73 6.18 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.73 113.92 27.79 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? 62.41 52.43 3.02 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.759 1.266 . . . . 0.0 108.234 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.707 ' HD2' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.82 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.053 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.763 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.9 mtt -132.91 156.47 47.17 Favored 'General case' 0 CA--C 1.481 -1.681 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -114.55 -52.17 2.72 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.421 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.911 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.82 -37.67 86.88 Favored 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m 45.17 -109.38 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.187 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.772 ' CE1' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.55 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.925 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.8 3.52 7.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.643 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 8.8 ptm180 -59.63 -18.97 45.96 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -65.69 -16.74 64.04 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 12' ' ' ILE . 97.3 m-85 -116.6 -73.76 0.63 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -172.65 144.32 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.398 -3.037 0 N-CA-C 101.921 -3.363 . . . . 0.0 101.921 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.822 ' HG ' ' H ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -115.94 -21.86 9.31 Favored 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 52.01 14.46 0.33 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.379 1.072 . . . . 0.0 113.382 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.822 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 1.9 mpt_? -104.53 -18.54 14.32 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.53 11.03 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 C--O 1.261 1.71 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -178.776 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.3 mtt -133.03 159.09 41.07 Favored 'General case' 0 CA--C 1.479 -1.763 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -114.23 -55.21 2.52 Favored 'General case' 0 CA--C 1.475 -1.906 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.504 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.942 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.11 -35.95 77.0 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.409 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m 61.33 -107.09 0.26 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.116 -178.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 8.34 -106.69 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.146 1.778 . . . . 0.0 112.701 -178.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.736 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.7 8.89 4.57 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -178.499 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 17.6 ptm180 -59.34 -19.23 45.0 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.881 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.33 -27.81 69.58 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 12' ' ' ILE . 97.9 m-85 -100.27 -67.17 0.87 Allowed 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.1 pp -172.07 160.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.469 -2.16 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 167.25 49.74 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 111.444 -2.616 . . . . 0.0 106.03 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -126.01 2.71 7.28 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.783 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -147.57 0.4 Allowed 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -66.69 -14.05 62.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.526 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.261 1.688 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.354 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.955 0.407 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -133.16 156.67 47.04 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -115.43 -52.6 2.65 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.313 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.934 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.46 -35.38 77.48 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 60.89 -112.66 0.52 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.077 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -6.22 -106.22 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.371 0 C-N-CA 126.508 1.923 . . . . 0.0 113.555 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.1 13.31 8.37 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 104.87 -2.27 . . . . 0.0 104.87 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 50.3 ttp180 -57.7 -34.15 69.15 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.712 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -59.92 -26.71 66.15 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.32 -69.38 0.75 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.568 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -172.19 -32.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.594 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.061 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.568 ' H ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 86.12 -23.92 0.14 Allowed 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 73.13 -153.98 0.07 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.2 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -62.95 -35.52 80.41 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.685 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.143 0.496 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.79 157.73 44.24 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -102.94 -53.15 2.9 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.536 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.962 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.61 -37.12 84.2 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t 45.94 -111.1 0.28 Allowed 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.203 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.668 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -68.95 -117.85 0.0 OUTLIER 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.655 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.25 7.53 15.26 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 -176.51 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.668 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 72.9 ttt-85 -58.82 -32.8 69.71 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.661 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -61.06 -23.4 65.43 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -98.75 -65.04 0.99 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -162.87 -48.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 89.55 -22.18 0.12 Allowed 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 124.337 1.023 . . . . 0.0 108.765 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.756 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -78.03 177.76 8.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.139 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.32 -21.68 11.73 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -124.78 -10.64 7.26 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.681 ' H ' ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.816 0 C-N-CA 124.261 1.024 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.2 mtm -133.72 156.73 47.42 Favored 'General case' 0 CA--C 1.479 -1.775 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -111.77 -54.4 2.61 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.496 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.914 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.15 -37.08 80.65 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.309 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t 50.97 -118.26 1.22 Allowed 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -54.96 -108.29 0.0 OUTLIER 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.335 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.69 7.37 14.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 -178.546 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 17.8 ptm180 -58.56 -15.53 11.75 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -70.07 -12.33 61.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' ILE . 11.4 t80 -125.37 -63.75 1.12 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -165.06 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.751 ' H ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 155.78 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 -178.427 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.639 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.0 tt0 27.73 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.359 0.983 0 C-N-CA 125.006 1.322 . . . . 0.0 112.06 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' H ' ' HE3' ' A' ' 17' ' ' LYS . 1.4 mpt_? -128.26 -83.65 0.59 Allowed 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -79.82 -6.76 57.96 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.775 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HE3' ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.663 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.879 0.371 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.9 mtp -130.5 148.45 52.31 Favored 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -108.76 -22.58 12.16 Favored 'General case' 0 N--CA 1.413 -2.288 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.599 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.95 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.24 67.24 4.12 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -87.3 -73.66 0.47 Allowed 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 175.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.44 -111.02 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.593 -178.322 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -111.92 6.92 19.77 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 53.5 ttp85 -55.17 -29.2 57.34 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.45 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.61 -12.11 56.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.5 m-85 -118.12 -60.73 1.76 Allowed 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG21 ' HG2' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -171.18 -120.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 155.55 -24.38 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -178.709 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' N ' HD23 ' A' ' 13' ' ' LEU . 20.9 mp0 -67.14 147.43 53.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 122.05 0.929 . . . . 0.0 109.306 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.21 -1.25 57.91 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.64 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.72 -12.99 18.67 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.261 1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 59.8 mtt -132.57 158.37 42.35 Favored 'General case' 0 CA--C 1.481 -1.68 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -109.05 -53.25 2.67 Favored 'General case' 0 CA--C 1.473 -1.99 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.213 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -59.95 -38.99 84.05 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 178.476 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m 59.12 -102.66 0.15 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.066 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -10.16 -101.59 0.0 OUTLIER 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 127.244 2.218 . . . . 0.0 112.219 178.012 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -123.44 -1.86 8.54 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 76.0 ttt-85 -54.2 -10.5 0.37 Allowed 'General case' 0 C--N 1.366 1.304 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.035 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.68 -36.23 73.85 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -110.16 -64.34 1.27 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 13' ' ' LEU . 2.5 pp -155.63 -169.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.417 -2.082 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -166.16 -18.61 0.02 OUTLIER 'General case' 0 N--CA 1.424 -1.775 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.368 -178.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.816 ' N ' HD13 ' A' ' 13' ' ' LEU . 84.6 mt-30 -75.88 156.58 34.18 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.985 0.898 . . . . 0.0 109.39 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -0.85 42.79 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.192 -177.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -87.07 -9.71 54.74 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.666 0 CA-C-O 117.886 -1.054 . . . . 0.0 108.328 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.77 0.319 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -133.27 156.13 48.12 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -113.08 -53.13 2.74 Favored 'General case' 0 CA--C 1.474 -1.948 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.37 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.905 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.0 -35.92 79.13 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t 61.48 -112.67 0.49 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.92 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 2.97 -105.76 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.34 0 C-N-CA 126.111 1.764 . . . . 0.0 112.688 -178.805 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.43 13.37 8.81 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 65.6 ttt180 -54.06 -28.9 41.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.492 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -61.86 -22.17 65.3 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.2 m-85 -109.16 -65.86 1.11 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.601 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -167.42 -116.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.48 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 179.28 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 160.24 -16.05 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -178.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' HD23 ' A' ' 13' ' ' LEU . 25.0 mt-30 77.68 -152.49 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.76 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.877 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -69.21 -17.6 63.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.263 1.777 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.749 0.309 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.5 mtt -132.37 156.99 45.65 Favored 'General case' 0 CA--C 1.48 -1.727 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -117.88 -52.68 2.42 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.943 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.41 -35.31 77.46 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 61.04 -109.62 0.39 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.126 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ORN . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 1.17 -105.84 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.333 1.853 . . . . 0.0 113.183 -179.281 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.13 14.45 7.84 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.628 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 70.2 ttt180 -55.84 -34.41 65.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.167 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -61.17 -20.39 62.67 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' C ' HG22 ' A' ' 12' ' ' ILE . 98.3 m-85 -112.65 -75.41 0.61 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -174.14 146.0 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.393 -3.29 0 N-CA-C 101.928 -3.36 . . . . 0.0 101.928 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -118.42 -25.58 6.48 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 76.92 -45.08 0.48 Allowed 'General case' 0 C--N 1.358 0.952 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -40.06 93.89 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.937 -0.477 . . . . 0.0 111.524 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.816 ' HB3' HD21 ' A' ' 13' ' ' LEU . 35.8 ttpt -87.89 -13.58 41.59 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.263 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.48 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 . . . . . 0 CA--C 1.474 -1.955 0 N-CA-C 108.286 -1.005 . . . . 0.0 108.286 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.952 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.37 -37.65 77.7 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.353 0.743 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.273 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.412 -2.34 0 CA-C-O 121.749 0.785 . . . . 0.0 109.766 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -113.82 8.6 17.41 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 -178.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 61.4 ttt-85 -53.92 -28.7 38.39 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.718 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -66.43 -12.26 56.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' ILE . 10.7 t80 -119.0 -68.43 0.92 Allowed 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.43 -1.449 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 . . . . . 0 CA--C 1.477 -1.865 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.933 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.63 -36.56 78.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m . . . . . 0 N--CA 1.45 -0.426 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.63 -179.339 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.429 -1.488 0 CA-C-O 121.772 0.796 . . . . 0.0 113.109 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.18 14.67 8.39 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -177.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 41.9 ttp180 -56.81 -32.33 65.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.581 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -61.15 -23.98 65.95 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.0 m-85 -96.09 -68.99 0.77 Allowed 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.48 -1.736 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 . . . . . 0 CA--C 1.468 -2.202 0 N-CA-C 107.319 -1.364 . . . . 0.0 107.319 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -87.89 74.1 9.07 Favored 'General case' 0 N--CA 1.405 -2.704 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.4 t . . . . . 0 C--N 1.305 -1.369 0 CA-C-N 112.887 -1.96 . . . . 0.0 106.317 176.066 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.488 -1.42 0 CA-C-O 121.92 0.867 . . . . 0.0 112.24 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -114.97 4.6 14.81 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 38.1 ttp180 -57.04 -15.59 5.49 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-N 113.291 -1.777 . . . . 0.0 109.441 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.55 -35.73 74.79 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.2 m-85 -109.72 -62.26 1.53 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.477 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.0 OUTLIER . . . . . 0 CA--C 1.487 -1.463 0 N-CA-C 103.714 -2.699 . . . . 0.0 103.714 -179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 . . . . . 0 CA--C 1.476 -1.88 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.86 -36.12 81.6 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.447 -0.587 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.728 -179.258 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.593 0 CA-C-O 121.68 0.752 . . . . 0.0 112.627 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.716 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.07 14.97 6.81 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -178.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 52.0 ttp180 -55.62 -32.61 63.27 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.283 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -62.56 -22.59 66.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -105.74 -77.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.436 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.6 pp . . . . . 0 CA--C 1.458 -2.593 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 5' ' ' SER . 6.4 ptm180 . . . . . 0 N--CA 1.411 -2.397 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 25.2 mt 84.49 -34.64 0.06 Allowed 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.39 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 3' ' ' ARG . 15.8 t . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.765 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.461 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.711 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.33 13.89 7.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 48.8 ttp180 -58.0 -33.99 69.52 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.748 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -60.43 -23.85 64.74 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.6 m-85 -94.39 -68.64 0.79 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.485 -1.539 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 . . . . . 0 CA--C 1.477 -1.849 0 CA-C-O 121.718 0.771 . . . . 0.0 109.22 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.973 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.09 -34.45 76.42 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 N--CA 1.447 -0.581 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.588 0 CA-C-O 121.642 0.734 . . . . 0.0 112.956 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.27 11.84 5.95 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 -178.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 71.9 ttt-85 -57.22 -32.01 66.07 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.992 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -62.34 -23.63 66.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -107.62 -75.92 0.62 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER . . . . . 0 CA--C 1.452 -2.791 0 CA-C-O 123.798 1.761 . . . . 0.0 108.246 179.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 . . . . . 0 CA--C 1.475 -1.938 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.933 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.64 -35.22 75.02 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.892 -178.685 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.601 0 CA-C-O 121.739 0.781 . . . . 0.0 112.848 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.34 12.21 7.0 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 67.4 ttt180 -56.49 -31.68 64.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.172 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -25.36 67.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.58 -78.23 0.56 Allowed 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.1 pp . . . . . 0 CA--C 1.456 -2.66 0 CA-C-O 122.964 1.364 . . . . 0.0 107.477 179.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 . . . . . 0 CA--C 1.469 -2.136 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -81.59 69.94 8.36 Favored 'General case' 0 N--CA 1.41 -2.461 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 178.41 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t . . . . . 0 N--CA 1.435 -1.202 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.714 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.414 -2.263 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -106.68 4.14 27.5 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 103.382 -2.822 . . . . 0.0 103.382 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 63.8 ttt-85 -55.17 -26.89 41.87 Favored 'General case' 0 C--N 1.367 1.357 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -61.81 -20.68 63.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.9 m-85 -116.45 -63.15 1.49 Allowed 'General case' 0 C--N 1.359 0.998 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.556 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.485 -1.522 0 N-CA-C 102.932 -2.988 . . . . 0.0 102.932 -179.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 . . . . . 0 CA--C 1.47 -2.132 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -68.42 -36.68 79.43 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 C--N 1.348 0.512 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.521 178.091 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER . . . . . 0 N--CA 1.424 -1.737 0 CA-C-O 121.789 0.804 . . . . 0.0 112.549 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.63 15.45 5.4 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -178.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 75.0 ttt-85 -56.63 -32.64 65.53 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.458 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -69.62 -12.62 61.79 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 12' ' ' ILE . 99.5 m-85 -117.17 -78.51 0.58 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD12 ' HB3' ' A' ' 11' ' ' PHE . 3.3 mp . . . . . 0 CA--C 1.458 -2.567 0 CA-C-O 123.056 1.408 . . . . 0.0 108.656 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 . . . . . 0 CA--C 1.475 -1.938 0 N-CA-C 108.329 -0.989 . . . . 0.0 108.329 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.961 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.94 -35.39 76.74 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t . . . . . 0 N--CA 1.449 -0.481 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.007 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.717 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.3 OUTLIER . . . . . 0 N--CA 1.431 -1.397 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.717 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.51 13.08 7.55 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -179.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 45.3 ttp180 -55.51 -32.55 62.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.129 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -61.9 -20.71 64.04 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.5 ' C ' HG22 ' A' ' 12' ' ' ILE . 99.0 m-85 -112.9 -74.22 0.64 Allowed 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.555 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.393 -3.279 0 N-CA-C 102.535 -3.135 . . . . 0.0 102.535 -179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 . . . . . 0 CA--C 1.474 -1.955 0 CA-C-O 122.268 1.032 . . . . 0.0 109.042 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.673 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -67.22 -36.82 82.49 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.448 -0.565 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.444 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.722 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.427 -1.581 0 CA-C-O 121.79 0.805 . . . . 0.0 112.71 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.722 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.11 14.13 6.75 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 68.5 ttt180 -56.42 -32.58 64.99 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.139 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -101.46 -78.49 0.53 Allowed 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.455 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.7 pp . . . . . 0 CA--C 1.459 -2.53 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 CA--C 1.475 -1.929 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.911 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.82 -37.67 86.88 Favored 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 C--N 1.351 0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.187 -179.092 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.718 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.414 -2.265 0 CA-C-O 121.386 0.612 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.8 3.52 7.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.643 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 8.8 ptm180 -59.63 -18.97 45.96 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -65.69 -16.74 64.04 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 12' ' ' ILE . 97.3 m-85 -116.6 -73.76 0.63 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.645 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.398 -3.037 0 N-CA-C 101.921 -3.363 . . . . 0.0 101.921 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 . . . . . 0 CA--C 1.475 -1.906 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.942 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.11 -35.95 77.0 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 CA--C 1.51 -0.561 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.116 -178.742 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.428 -1.538 0 CA-C-O 121.624 0.726 . . . . 0.0 112.701 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.736 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.7 8.89 4.57 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -178.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 17.6 ptm180 -59.34 -19.23 45.0 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.881 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.33 -27.81 69.58 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 12' ' ' ILE . 97.9 m-85 -100.27 -67.17 0.87 Allowed 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.1 pp . . . . . 0 CA--C 1.469 -2.16 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 . . . . . 0 CA--C 1.475 -1.927 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.934 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.46 -35.38 77.48 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t . . . . . 0 N--CA 1.447 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.077 -179.264 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.432 -1.371 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.1 13.31 8.37 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 104.87 -2.27 . . . . 0.0 104.87 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 50.3 ttp180 -57.7 -34.15 69.15 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.712 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -59.92 -26.71 66.15 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.32 -69.38 0.75 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.484 -1.594 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 . . . . . 0 CA--C 1.476 -1.871 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.962 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.61 -37.12 84.2 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.35 0.622 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.203 -179.674 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.668 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER . . . . . 0 N--CA 1.41 -2.441 0 CA-C-O 121.445 0.641 . . . . 0.0 110.655 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.25 7.53 15.26 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 -176.51 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.668 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 72.9 ttt-85 -58.82 -32.8 69.71 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.661 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -61.06 -23.4 65.43 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -98.75 -65.04 0.99 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.479 -1.787 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 . . . . . 0 CA--C 1.475 -1.928 0 CA-C-O 122.08 0.943 . . . . 0.0 108.496 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.914 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.15 -37.08 80.65 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.309 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t . . . . . 0 C--N 1.35 0.595 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.074 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER . . . . . 0 N--CA 1.417 -2.085 0 CA-C-O 121.909 0.861 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.69 7.37 14.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 -178.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 17.8 ptm180 -58.56 -15.53 11.75 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -70.07 -12.33 61.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' ILE . 11.4 t80 -125.37 -63.75 1.12 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.585 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 N--CA 1.432 -1.357 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 . . . . . 0 N--CA 1.413 -2.288 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.95 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.24 67.24 4.12 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.439 -0.992 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 175.671 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.413 -2.312 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -111.92 6.92 19.77 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 53.5 ttp85 -55.17 -29.2 57.34 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.45 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.61 -12.11 56.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.5 m-85 -118.12 -60.73 1.76 Allowed 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.6 OUTLIER . . . . . 0 CA--C 1.489 -1.383 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.163 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 . . . . . 0 CA--C 1.473 -1.99 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -59.95 -38.99 84.05 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 178.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 CA--C 1.51 -0.582 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.066 179.585 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.42 -1.969 0 N-CA-C 112.219 0.451 . . . . 0.0 112.219 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -123.44 -1.86 8.54 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 76.0 ttt-85 -54.2 -10.5 0.37 Allowed 'General case' 0 C--N 1.366 1.304 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.035 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.68 -36.23 73.85 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -110.16 -64.34 1.27 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.417 -2.082 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.125 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 . . . . . 0 CA--C 1.474 -1.948 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.0 -35.92 79.13 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t . . . . . 0 N--CA 1.45 -0.47 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.92 -179.047 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.432 -1.34 0 CA-C-O 121.802 0.811 . . . . 0.0 112.688 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.43 13.37 8.81 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 65.6 ttt180 -54.06 -28.9 41.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.492 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -61.86 -22.17 65.3 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.2 m-85 -109.16 -65.86 1.11 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 11' ' ' PHE . 0.9 OUTLIER . . . . . 0 CA--C 1.487 -1.48 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 179.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 . . . . . 0 CA--C 1.477 -1.834 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.943 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.41 -35.31 77.46 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 CA--C 1.512 -0.502 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.126 -179.036 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.43 -1.469 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.13 14.45 7.84 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.628 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 70.2 ttt180 -55.84 -34.41 65.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.167 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -61.17 -20.39 62.67 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.494 ' C ' HG22 ' A' ' 12' ' ' ILE . 98.3 m-85 -112.65 -75.41 0.61 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.393 -3.29 0 N-CA-C 101.928 -3.36 . . . . 0.0 101.928 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 120.356 0.122 . . . . 0.0 111.263 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 97.9 mtp 68.55 -178.92 0.22 Allowed 'General case' 0 CA--C 1.491 -1.319 0 CA-C-O 122.043 0.925 . . . . 0.0 109.113 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.0 ttt85 -113.05 -55.71 2.49 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 114.911 -1.04 . . . . 0.0 108.286 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.952 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.37 -37.65 77.7 Favored 'General case' 0 N--CA 1.418 -2.071 0 N-CA-C 105.551 -2.018 . . . . 0.0 105.551 178.648 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.7 t 45.26 -115.23 0.48 Allowed 'General case' 0 C--N 1.353 0.743 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 -179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.675 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.6 OUTLIER -66.26 -114.92 0.0 OUTLIER 'General case' 0 N--CA 1.412 -2.34 0 CA-C-O 121.749 0.785 . . . . 0.0 109.766 179.118 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.675 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -113.82 8.6 17.41 Favored 'General case' 0 CA--C 1.496 -1.124 0 N-CA-C 105.121 -2.178 . . . . 0.0 105.121 -178.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.607 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 61.4 ttt-85 -53.92 -28.7 38.39 Favored 'General case' 0 C--N 1.362 1.122 0 CA-C-N 114.12 -1.4 . . . . 0.0 110.718 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.9 m-80 -66.43 -12.26 56.2 Favored 'General case' 0 N--CA 1.438 -1.045 0 N-CA-C 108.604 -0.887 . . . . 0.0 108.604 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.513 ' O ' HG23 ' A' ' 12' ' ' ILE . 10.7 t80 -119.0 -68.43 0.92 Allowed 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 177.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.635 HD12 ' N ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -161.85 -128.86 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.43 -1.449 0 N-CA-C 103.177 -2.897 . . . . 0.0 103.177 179.478 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.635 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 161.36 -27.37 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 N-CA-C 106.122 -1.807 . . . . 0.0 106.122 -179.44 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.571 ' N ' HD23 ' A' ' 13' ' ' LEU . 35.6 mt-30 -70.27 138.45 51.61 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 122.118 0.961 . . . . 0.0 109.052 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.82 -24.44 61.72 Favored 'General case' 0 N--CA 1.434 -1.24 0 CA-C-N 114.279 -1.328 . . . . 0.0 108.556 -178.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -63.97 -39.0 93.13 Favored 'General case' 0 CA--C 1.498 -1.019 0 N-CA-C 107.967 -1.124 . . . . 0.0 107.967 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.262 1.715 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.855 0.36 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.6 mmt -139.81 167.22 22.62 Favored 'General case' 0 CA--C 1.482 -1.66 0 N-CA-C 107.993 -1.114 . . . . 0.0 107.993 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 67.1 ttp85 -115.17 -56.59 2.35 Favored 'General case' 0 CA--C 1.477 -1.865 0 CA-C-N 114.851 -1.068 . . . . 0.0 108.539 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.933 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.63 -36.56 78.8 Favored 'General case' 0 N--CA 1.421 -1.907 0 N-CA-C 106.247 -1.76 . . . . 0.0 106.247 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.7 m 58.8 -100.86 0.11 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.63 -179.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.4 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.708 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 13.71 -112.59 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.488 0 C-N-CA 125.787 1.635 . . . . 0.0 113.109 -177.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.708 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.18 14.67 8.39 Favored 'General case' 0 CA--C 1.495 -1.158 0 N-CA-C 105.778 -1.934 . . . . 0.0 105.778 -177.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.635 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 41.9 ttp180 -56.81 -32.33 65.6 Favored 'General case' 0 CA--C 1.5 -0.979 0 CA-C-N 114.093 -1.412 . . . . 0.0 109.581 179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.8 m-80 -61.15 -23.98 65.95 Favored 'General case' 0 N--CA 1.442 -0.86 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.439 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.0 m-85 -96.09 -68.99 0.77 Allowed 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 106.371 -1.714 . . . . 0.0 106.371 177.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.524 HD12 ' N ' ' A' ' 13' ' ' LEU . 0.8 OUTLIER -173.61 -34.45 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.48 -1.736 0 N-CA-C 107.179 -1.415 . . . . 0.0 107.179 179.678 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.598 HD23 ' N ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 84.89 -27.85 0.09 Allowed 'General case' 0 N--CA 1.437 -1.111 0 O-C-N 124.245 0.966 . . . . 0.0 108.789 179.238 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.598 ' N ' HD23 ' A' ' 13' ' ' LEU . 1.4 mp0 -73.05 173.94 8.61 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-O 122.506 1.146 . . . . 0.0 110.379 -177.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.547 ' HD2' ' N ' ' A' ' 15' ' ' ARG . 0.1 OUTLIER -111.45 -33.87 6.27 Favored 'General case' 0 N--CA 1.425 -1.713 0 CA-C-N 114.236 -1.347 . . . . 0.0 107.742 -176.555 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -73.32 -20.91 60.69 Favored 'General case' 0 CA--C 1.497 -1.076 0 N-CA-C 108.822 -0.807 . . . . 0.0 108.822 179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.26 1.652 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.747 0.308 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 55.8 mtt -133.65 153.84 51.37 Favored 'General case' 0 CA--C 1.474 -1.952 0 CA-C-O 122.229 1.014 . . . . 0.0 108.745 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.5 ttt85 -93.2 -51.05 5.2 Favored 'General case' 0 CA--C 1.468 -2.202 0 CA-C-N 114.002 -1.454 . . . . 0.0 107.319 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -87.89 74.1 9.07 Favored 'General case' 0 N--CA 1.405 -2.704 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.502 ' C ' ' H ' ' A' ' 7' ' ' PHE . 42.4 t -109.21 106.84 16.87 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.887 -1.96 . . . . 0.0 106.317 176.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.429 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 4.5 -102.6 0.0 OUTLIER 'General case' 0 CA--C 1.488 -1.42 0 C-N-CA 126.638 1.975 . . . . 0.0 112.24 178.607 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -114.97 4.6 14.81 Favored 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.663 -2.717 . . . . 0.0 103.663 179.663 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 38.1 ttp180 -57.04 -15.59 5.49 Favored 'General case' 0 C--N 1.368 1.409 0 CA-C-N 113.291 -1.777 . . . . 0.0 109.441 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -59.55 -35.73 74.79 Favored 'General case' 0 N--CA 1.436 -1.14 0 N-CA-C 105.966 -1.864 . . . . 0.0 105.966 178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.2 m-85 -109.72 -62.26 1.53 Allowed 'General case' 0 C--N 1.362 1.117 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 179.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.534 HD12 ' N ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -161.34 -121.4 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.463 0 N-CA-C 103.714 -2.699 . . . . 0.0 103.714 -179.648 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.534 ' N ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 166.22 -18.22 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.504 0 N-CA-C 105.368 -2.086 . . . . 0.0 105.368 -179.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.413 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.9 tt0 81.41 -162.84 0.02 OUTLIER 'General case' 0 CA--C 1.495 -1.169 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.413 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 74.23 -74.36 0.09 Allowed 'General case' 0 CA--C 1.496 -1.101 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 179.053 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 60.8 pttt -72.04 -16.9 62.05 Favored 'General case' 0 CA--C 1.501 -0.926 0 N-CA-C 108.301 -0.999 . . . . 0.0 108.301 178.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 C--O 1.262 1.722 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 179.535 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 121.204 0.526 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 16.1 mmt -136.29 162.13 33.85 Favored 'General case' 0 CA--C 1.481 -1.701 0 N-CA-C 107.98 -1.118 . . . . 0.0 107.98 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.4 ttp180 -105.37 -54.4 2.49 Favored 'General case' 0 CA--C 1.476 -1.88 0 CA-C-N 114.675 -1.148 . . . . 0.0 108.723 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.924 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.86 -36.12 81.6 Favored 'General case' 0 N--CA 1.421 -1.902 0 N-CA-C 106.426 -1.694 . . . . 0.0 106.426 179.29 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.1 t 60.73 -104.65 0.18 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.728 -179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.716 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 17.97 -113.83 0.01 OUTLIER 'General case' 0 N--CA 1.427 -1.593 0 C-N-CA 125.616 1.566 . . . . 0.0 112.627 -177.443 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.716 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.07 14.97 6.81 Favored 'General case' 0 CA--C 1.487 -1.458 0 N-CA-C 105.508 -2.034 . . . . 0.0 105.508 -178.133 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 52.0 ttp180 -55.62 -32.61 63.27 Favored 'General case' 0 CA--C 1.501 -0.916 0 CA-C-N 114.765 -1.107 . . . . 0.0 109.283 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -62.56 -22.59 66.45 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -105.74 -77.51 0.59 Allowed 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 106.279 -1.749 . . . . 0.0 106.279 178.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.436 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.6 pp -157.15 156.95 4.01 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.593 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.607 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 175.64 56.99 0.0 OUTLIER 'General case' 0 N--CA 1.405 -2.716 0 CA-C-N 111.511 -2.586 . . . . 0.0 106.124 176.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -126.21 158.31 35.97 Favored 'General case' 0 N--CA 1.423 -1.801 0 CA-C-N 112.963 -1.926 . . . . 0.0 105.977 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.92 9.84 33.77 Favored 'General case' 0 N--CA 1.436 -1.173 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.673 -175.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptmt -83.96 -17.39 40.76 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.262 1.714 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 52.6 tp10 . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 121.13 0.49 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.509 ' HB2' ' H ' ' A' ' 4' ' ' LEU . 12.1 ptt? -156.64 166.93 31.99 Favored 'General case' 0 CA--C 1.469 -2.162 0 CA-C-O 122.348 1.07 . . . . 0.0 108.556 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.506 ' C ' ' H ' ' A' ' 5' ' ' SER . 6.4 ptm180 -115.59 16.17 16.53 Favored 'General case' 0 N--CA 1.411 -2.397 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 177.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' CB ' ' CD2' ' A' ' 7' ' ' PHE . 25.2 mt 84.49 -34.64 0.06 Allowed 'General case' 0 CA--C 1.489 -1.379 0 CA-C-N 113.069 -1.878 . . . . 0.0 106.39 178.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.506 ' H ' ' C ' ' A' ' 3' ' ' ARG . 15.8 t 61.89 -116.17 0.59 Allowed 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.765 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.711 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -10.0 -105.2 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.461 0 C-N-CA 126.463 1.905 . . . . 0.0 113.596 -179.575 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.711 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.33 13.89 7.7 Favored 'General case' 0 CA--C 1.496 -1.117 0 N-CA-C 104.715 -2.328 . . . . 0.0 104.715 -179.139 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 48.8 ttp180 -58.0 -33.99 69.52 Favored 'General case' 0 CA--C 1.498 -1.035 0 CA-C-N 113.46 -1.7 . . . . 0.0 109.748 -179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -60.43 -23.85 64.74 Favored 'General case' 0 N--CA 1.443 -0.793 0 N-CA-C 108.473 -0.936 . . . . 0.0 108.473 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.501 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.6 m-85 -94.39 -68.64 0.79 Allowed 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 177.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.569 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -174.87 -28.97 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.485 -1.539 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 179.126 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.685 ' HG ' ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER 82.15 -36.07 0.1 Allowed 'General case' 0 N--CA 1.432 -1.372 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 -179.568 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' HA ' ' HB2' ' A' ' 17' ' ' LYS . 0.9 OUTLIER 71.85 -12.74 0.64 Allowed 'General case' 0 C--N 1.362 1.129 0 C-N-CA 124.048 0.939 . . . . 0.0 112.598 174.92 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.685 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 7.6 mmt85 -73.48 -36.27 65.78 Favored 'General case' 0 CA--C 1.502 -0.874 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.578 ' H ' HD21 ' A' ' 13' ' ' LEU . 26.7 ttpp -88.05 -19.25 27.37 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 14' ' ' GLN . 75.6 mmtt . . . . . 0 C--O 1.262 1.749 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 120.837 0.351 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.2 mtp -132.46 158.17 42.74 Favored 'General case' 0 CA--C 1.48 -1.742 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -99.39 -53.73 3.14 Favored 'General case' 0 CA--C 1.477 -1.849 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.22 -179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.973 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.09 -34.45 76.42 Favored 'General case' 0 N--CA 1.422 -1.871 0 N-CA-C 106.453 -1.684 . . . . 0.0 106.453 179.637 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t 62.0 -112.86 0.47 Allowed 'General case' 0 N--CA 1.447 -0.581 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 -178.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.411 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.673 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 5.93 -108.28 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.588 0 C-N-CA 126.476 1.91 . . . . 0.0 112.956 -179.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -129.27 11.84 5.95 Favored 'General case' 0 CA--C 1.484 -1.579 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 -178.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 71.9 ttt-85 -57.22 -32.01 66.07 Favored 'General case' 0 CA--C 1.503 -0.854 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.992 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -62.34 -23.63 66.88 Favored 'General case' 0 N--CA 1.442 -0.826 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -107.62 -75.92 0.62 Allowed 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' N ' ' O ' ' A' ' 8' ' ' PHE . 0.8 OUTLIER -154.22 136.99 7.05 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.791 0 CA-C-O 123.798 1.761 . . . . 0.0 108.246 179.591 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.623 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -174.9 62.69 0.02 OUTLIER 'General case' 0 N--CA 1.396 -3.136 0 CA-C-N 110.447 -3.07 . . . . 0.0 105.62 175.727 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -92.22 -108.58 0.1 Allowed 'General case' 0 N--CA 1.416 -2.163 0 N-CA-C 105.193 -2.151 . . . . 0.0 105.193 177.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -125.33 -28.6 3.34 Favored 'General case' 0 CA--C 1.493 -1.228 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 -177.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -67.68 -38.19 83.37 Favored 'General case' 0 CA--C 1.493 -1.231 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 178.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.261 1.689 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 120.889 0.376 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.5 mtt -133.44 158.34 43.3 Favored 'General case' 0 CA--C 1.481 -1.707 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 55.1 ttt85 -115.26 -54.03 2.57 Favored 'General case' 0 CA--C 1.475 -1.938 0 CA-C-N 114.876 -1.056 . . . . 0.0 108.331 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.933 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.64 -35.22 75.02 Favored 'General case' 0 N--CA 1.42 -1.967 0 N-CA-C 106.361 -1.718 . . . . 0.0 106.361 179.559 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 m 61.72 -107.9 0.28 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.892 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.411 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 9.46 -108.77 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.601 0 C-N-CA 126.291 1.836 . . . . 0.0 112.848 -179.107 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -127.34 12.21 7.0 Favored 'General case' 0 CA--C 1.486 -1.514 0 N-CA-C 105.178 -2.156 . . . . 0.0 105.178 -178.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 67.4 ttt180 -56.49 -31.68 64.29 Favored 'General case' 0 CA--C 1.502 -0.875 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.172 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -61.55 -25.36 67.26 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 179.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -103.58 -78.23 0.56 Allowed 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 178.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.516 ' C ' HD12 ' A' ' 12' ' ' ILE . 2.1 pp -155.41 155.15 5.97 Favored 'Isoleucine or valine' 0 CA--C 1.456 -2.66 0 CA-C-O 122.964 1.364 . . . . 0.0 107.477 179.161 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.584 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.79 58.09 0.01 OUTLIER 'General case' 0 N--CA 1.403 -2.786 0 CA-C-N 111.627 -2.533 . . . . 0.0 106.944 175.878 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -122.6 154.52 37.85 Favored 'General case' 0 N--CA 1.424 -1.768 0 N-CA-C 105.192 -2.151 . . . . 0.0 105.192 177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.97 2.05 47.74 Favored 'General case' 0 CA--C 1.495 -1.142 0 N-CA-C 108.704 -0.85 . . . . 0.0 108.704 -176.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 ttpt -66.66 -38.87 87.72 Favored 'General case' 0 N--CA 1.432 -1.337 0 N-CA-C 106.713 -1.588 . . . . 0.0 106.713 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.263 1.764 0 CA-C-N 114.799 -1.091 . . . . 0.0 108.178 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 53.3 tp10 . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 121.192 0.52 . . . . 0.0 110.167 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mmm -131.01 158.0 41.47 Favored 'General case' 0 CA--C 1.476 -1.889 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -94.61 -59.88 1.83 Allowed 'General case' 0 CA--C 1.469 -2.136 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -81.59 69.94 8.36 Favored 'General case' 0 N--CA 1.41 -2.461 0 N-CA-C 105.232 -2.136 . . . . 0.0 105.232 178.41 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.3 t -86.97 -66.77 0.87 Allowed 'General case' 0 N--CA 1.435 -1.202 0 N-CA-C 105.394 -2.076 . . . . 0.0 105.394 176.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.685 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -77.17 -108.7 0.02 OUTLIER 'General case' 0 N--CA 1.414 -2.263 0 CA-C-N 113.818 -1.537 . . . . 0.0 108.854 -177.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.685 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -106.68 4.14 27.5 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 103.382 -2.822 . . . . 0.0 103.382 -179.372 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.547 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 63.8 ttt-85 -55.17 -26.89 41.87 Favored 'General case' 0 C--N 1.367 1.357 0 CA-C-N 113.08 -1.873 . . . . 0.0 110.312 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.5 m-80 -61.81 -20.68 63.89 Favored 'General case' 0 N--CA 1.441 -0.895 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.556 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.9 m-85 -116.45 -63.15 1.49 Allowed 'General case' 0 C--N 1.359 0.998 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.7 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -163.51 -124.95 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.485 -1.522 0 N-CA-C 102.932 -2.988 . . . . 0.0 102.932 -179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.7 ' H ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 166.35 -22.42 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.582 0 N-CA-C 105.587 -2.005 . . . . 0.0 105.587 179.748 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.458 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 3.1 tt0 81.67 160.99 0.15 Allowed 'General case' 0 C--N 1.363 1.174 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 1.6 mpt_? 81.22 -62.63 0.19 Allowed 'General case' 0 CA--C 1.489 -1.394 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -65.23 -33.63 76.45 Favored 'General case' 0 N--CA 1.436 -1.139 0 N-CA-C 106.792 -1.558 . . . . 0.0 106.792 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HE3' HG22 ' A' ' 12' ' ' ILE . 74.7 mmtt . . . . . 0 C--O 1.264 1.819 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 76.1 mm-40 . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 120.861 0.362 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 79.6 mtm -134.53 157.32 46.84 Favored 'General case' 0 CA--C 1.471 -2.095 0 CA-C-O 122.442 1.115 . . . . 0.0 108.06 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 75.4 mtt85 -130.36 -49.81 1.09 Allowed 'General case' 0 CA--C 1.47 -2.132 0 CA-C-N 113.433 -1.712 . . . . 0.0 107.689 -178.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.905 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -68.42 -36.68 79.43 Favored 'General case' 0 N--CA 1.42 -1.947 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 179.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 7' ' ' PHE . 55.3 m 40.22 77.67 0.05 Allowed 'General case' 0 C--N 1.348 0.512 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.521 178.091 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER 21.02 -110.63 0.01 OUTLIER 'General case' 0 N--CA 1.424 -1.737 0 C-N-CA 125.277 1.431 . . . . 0.0 112.549 -179.311 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -130.63 15.45 5.4 Favored 'General case' 0 CA--C 1.487 -1.465 0 N-CA-C 105.306 -2.109 . . . . 0.0 105.306 -178.332 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.579 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 75.0 ttt-85 -56.63 -32.64 65.53 Favored 'General case' 0 CA--C 1.502 -0.888 0 CA-C-N 115.22 -0.9 . . . . 0.0 109.458 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 65.1 m-80 -69.62 -12.62 61.79 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 108.477 -0.934 . . . . 0.0 108.477 -179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.412 ' HB3' HD12 ' A' ' 12' ' ' ILE . 99.5 m-85 -117.17 -78.51 0.58 Allowed 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 107.012 -1.477 . . . . 0.0 107.012 179.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.512 HG23 ' HD2' ' A' ' 17' ' ' LYS . 3.3 mp -145.72 130.34 12.04 Favored 'Isoleucine or valine' 0 CA--C 1.458 -2.567 0 CA-C-O 123.056 1.408 . . . . 0.0 108.656 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.545 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 173.92 39.38 0.0 OUTLIER 'General case' 0 N--CA 1.416 -2.134 0 CA-C-N 110.904 -2.862 . . . . 0.0 106.92 177.033 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.2 mt-30 -140.97 160.29 40.39 Favored 'General case' 0 CA--C 1.478 -1.798 0 N-CA-C 106.146 -1.798 . . . . 0.0 106.146 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -93.12 12.35 24.58 Favored 'General case' 0 N--CA 1.431 -1.39 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.403 -176.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 24.2 mtmt -93.21 -6.13 48.42 Favored 'General case' 0 CA--C 1.498 -1.022 0 N-CA-C 106.022 -1.844 . . . . 0.0 106.022 178.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 12' ' ' ILE . 9.8 mtmt . . . . . 0 C--O 1.261 1.696 0 N-CA-C 107.876 -1.157 . . . . 0.0 107.876 -178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.488 1.458 0 CA-C-O 120.761 0.315 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.2 mtt -132.69 156.74 46.43 Favored 'General case' 0 CA--C 1.481 -1.699 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 53.9 ttt85 -116.21 -52.43 2.59 Favored 'General case' 0 CA--C 1.475 -1.938 0 CA-C-N 114.926 -1.034 . . . . 0.0 108.329 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.961 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.94 -35.39 76.74 Favored 'General case' 0 N--CA 1.419 -1.991 0 N-CA-C 106.216 -1.772 . . . . 0.0 106.216 179.424 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t 61.04 -114.86 0.61 Allowed 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.833 ' CE1' HD13 ' A' ' 13' ' ' LEU . 0.3 OUTLIER -4.11 -104.86 0.0 OUTLIER 'General case' 0 N--CA 1.431 -1.397 0 C-N-CA 126.344 1.858 . . . . 0.0 113.354 -179.489 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.717 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.51 13.08 7.55 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 104.604 -2.369 . . . . 0.0 104.604 -179.428 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.596 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 45.3 ttp180 -55.51 -32.55 62.99 Favored 'General case' 0 CA--C 1.498 -1.028 0 CA-C-N 113.785 -1.552 . . . . 0.0 110.129 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -61.9 -20.71 64.04 Favored 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.5 ' C ' HG22 ' A' ' 12' ' ' ILE . 99.0 m-85 -112.9 -74.22 0.64 Allowed 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 178.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.555 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -175.37 145.73 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.393 -3.279 0 N-CA-C 102.535 -3.135 . . . . 0.0 102.535 -179.005 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.833 HD13 ' CE1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -119.52 -22.71 6.87 Favored 'General case' 0 N--CA 1.417 -2.117 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 -179.609 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 65.42 66.15 0.54 Allowed 'General case' 0 CA--C 1.497 -1.094 0 CA-C-O 121.732 0.777 . . . . 0.0 110.774 177.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.36 -55.16 0.18 Allowed 'General case' 0 CA--C 1.492 -1.252 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 179.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 mtmt -96.63 -1.18 47.34 Favored 'General case' 0 CA--C 1.5 -0.972 0 N-CA-C 106.783 -1.562 . . . . 0.0 106.783 179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 46.1 mmtt . . . . . 0 C--O 1.261 1.681 0 N-CA-C 107.713 -1.218 . . . . 0.0 107.713 -177.642 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 120.812 0.339 . . . . 0.0 110.781 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 76.5 mtm -132.3 154.08 50.05 Favored 'General case' 0 CA--C 1.476 -1.89 0 CA-C-O 122.459 1.123 . . . . 0.0 108.913 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.7 ttp180 -70.22 -42.66 71.98 Favored 'General case' 0 CA--C 1.474 -1.955 0 CA-C-N 113.512 -1.676 . . . . 0.0 109.042 177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.673 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 1.0 OUTLIER -67.22 -36.82 82.49 Favored 'General case' 0 N--CA 1.416 -2.144 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.4 t 62.29 -111.53 0.41 Allowed 'General case' 0 N--CA 1.448 -0.565 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.418 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.722 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 8.64 -108.31 0.0 OUTLIER 'General case' 0 N--CA 1.427 -1.581 0 C-N-CA 126.352 1.861 . . . . 0.0 112.71 -179.009 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.722 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -128.11 14.13 6.75 Favored 'General case' 0 CA--C 1.485 -1.545 0 N-CA-C 104.836 -2.283 . . . . 0.0 104.836 -179.249 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 68.5 ttt180 -56.42 -32.58 64.99 Favored 'General case' 0 CA--C 1.502 -0.9 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.139 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -61.52 -25.51 67.33 Favored 'General case' 0 N--CA 1.444 -0.738 0 N-CA-C 108.007 -1.108 . . . . 0.0 108.007 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -101.46 -78.49 0.53 Allowed 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 106.233 -1.765 . . . . 0.0 106.233 178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.707 HD13 ' HD2' ' A' ' 17' ' ' LYS . 2.7 pp -158.59 158.86 2.58 Favored 'Isoleucine or valine' 0 CA--C 1.459 -2.53 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.073 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.609 HD23 ' CD1' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 178.71 45.07 0.0 OUTLIER 'General case' 0 N--CA 1.407 -2.586 0 CA-C-N 111.739 -2.482 . . . . 0.0 106.226 176.219 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -105.54 173.73 6.18 Favored 'General case' 0 N--CA 1.423 -1.793 0 N-CA-C 104.956 -2.239 . . . . 0.0 104.956 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -103.73 113.92 27.79 Favored 'General case' 0 N--CA 1.429 -1.516 0 N-CA-C 107.357 -1.349 . . . . 0.0 107.357 -178.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mmpt? 62.41 52.43 3.02 Favored 'General case' 0 CA--C 1.497 -1.067 0 CA-C-O 122.759 1.266 . . . . 0.0 108.234 -178.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.707 ' HD2' HD13 ' A' ' 12' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.82 0 CA-C-N 113.421 -1.718 . . . . 0.0 109.053 179.175 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 120.763 0.316 . . . . 0.0 110.797 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 63.9 mtt -132.91 156.47 47.17 Favored 'General case' 0 CA--C 1.481 -1.681 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -114.55 -52.17 2.72 Favored 'General case' 0 CA--C 1.475 -1.929 0 CA-C-N 115.017 -0.992 . . . . 0.0 108.421 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.911 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -65.82 -37.67 86.88 Favored 'General case' 0 N--CA 1.419 -2.024 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 179.201 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.8 m 45.17 -109.38 0.18 Allowed 'General case' 0 C--N 1.351 0.635 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.187 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.772 ' CE1' HD13 ' A' ' 13' ' ' LEU . 0.4 OUTLIER -65.55 -108.46 0.0 OUTLIER 'General case' 0 N--CA 1.414 -2.265 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.925 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.718 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.8 3.52 7.41 Favored 'General case' 0 CA--C 1.501 -0.918 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -176.777 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.643 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 8.8 ptm180 -59.63 -18.97 45.96 Favored 'General case' 0 C--N 1.363 1.191 0 N-CA-C 110.481 -0.192 . . . . 0.0 110.481 179.599 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 73.5 m-20 -65.69 -16.74 64.04 Favored 'General case' 0 N--CA 1.441 -0.898 0 N-CA-C 107.293 -1.373 . . . . 0.0 107.293 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.47 ' O ' HG22 ' A' ' 12' ' ' ILE . 97.3 m-85 -116.6 -73.76 0.63 Allowed 'General case' 0 N--CA 1.434 -1.238 0 N-CA-C 105.442 -2.058 . . . . 0.0 105.442 176.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.645 HD13 ' O ' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -172.65 144.32 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.398 -3.037 0 N-CA-C 101.921 -3.363 . . . . 0.0 101.921 179.852 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.822 ' HG ' ' H ' ' A' ' 15' ' ' ARG . 0.3 OUTLIER -115.94 -21.86 9.31 Favored 'General case' 0 N--CA 1.419 -1.984 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 -179.447 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 52.01 14.46 0.33 Allowed 'General case' 0 C--N 1.36 1.06 0 C-N-CA 124.379 1.072 . . . . 0.0 113.382 176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.822 ' H ' ' HG ' ' A' ' 13' ' ' LEU . 1.9 mpt_? -104.53 -18.54 14.32 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -116.61 -11.53 11.03 Favored 'General case' 0 CA--C 1.502 -0.9 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 179.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt . . . . . 0 C--O 1.261 1.71 0 N-CA-C 107.88 -1.155 . . . . 0.0 107.88 -178.776 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 121.249 0.547 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 62.3 mtt -133.03 159.09 41.07 Favored 'General case' 0 CA--C 1.479 -1.763 0 N-CA-C 107.934 -1.136 . . . . 0.0 107.934 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 77.8 ttt-85 -114.23 -55.21 2.52 Favored 'General case' 0 CA--C 1.475 -1.906 0 CA-C-N 114.952 -1.022 . . . . 0.0 108.504 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.942 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -69.11 -35.95 77.0 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 106.252 -1.759 . . . . 0.0 106.252 179.409 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 m 61.33 -107.09 0.26 Allowed 'General case' 0 CA--C 1.51 -0.561 0 CA-C-N 115.144 -0.934 . . . . 0.0 109.116 -178.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.423 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.736 ' HB2' ' CE1' ' A' ' 8' ' ' PHE . 0.1 OUTLIER 8.34 -106.69 0.0 OUTLIER 'General case' 0 N--CA 1.428 -1.538 0 C-N-CA 126.146 1.778 . . . . 0.0 112.701 -178.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.736 ' CE1' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -131.7 8.89 4.57 Favored 'General case' 0 CA--C 1.492 -1.285 0 N-CA-C 106.574 -1.639 . . . . 0.0 106.574 -178.499 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.522 ' HB3' ' CE1' ' A' ' 7' ' ' PHE . 17.6 ptm180 -59.34 -19.23 45.0 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.881 179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 -63.33 -27.81 69.58 Favored 'General case' 0 C--N 1.355 0.81 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 177.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.606 ' O ' HG23 ' A' ' 12' ' ' ILE . 97.9 m-85 -100.27 -67.17 0.87 Allowed 'General case' 0 N--CA 1.437 -1.118 0 N-CA-C 105.655 -1.979 . . . . 0.0 105.655 177.498 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.606 HG23 ' O ' ' A' ' 11' ' ' PHE . 1.1 pp -172.07 160.11 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.469 -2.16 0 N-CA-C 107.144 -1.428 . . . . 0.0 107.144 178.436 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.526 HD22 ' HB3' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 167.25 49.74 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.483 0 CA-C-N 111.444 -2.616 . . . . 0.0 106.03 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -126.01 2.71 7.28 Favored 'General case' 0 N--CA 1.442 -0.851 0 CA-C-N 114.553 -1.203 . . . . 0.0 108.783 -179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.52 -147.57 0.4 Allowed 'General case' 0 CA--C 1.499 -1.004 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 -178.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.4 pttt -66.69 -14.05 62.03 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 178.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.526 ' HB3' HD22 ' A' ' 13' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.261 1.688 0 CA-C-O 117.921 -1.038 . . . . 0.0 108.354 -179.388 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.5 pt-20 . . . . . 0 N--CA 1.489 1.515 0 CA-C-O 120.955 0.407 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -133.16 156.67 47.04 Favored 'General case' 0 CA--C 1.48 -1.716 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -115.43 -52.6 2.65 Favored 'General case' 0 CA--C 1.475 -1.927 0 CA-C-N 114.85 -1.068 . . . . 0.0 108.313 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.934 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.46 -35.38 77.48 Favored 'General case' 0 N--CA 1.42 -1.971 0 N-CA-C 106.26 -1.756 . . . . 0.0 106.26 179.442 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t 60.89 -112.66 0.52 Allowed 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.366 -0.834 . . . . 0.0 109.077 -179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.709 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -6.22 -106.22 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.371 0 C-N-CA 126.508 1.923 . . . . 0.0 113.555 -179.265 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -125.1 13.31 8.37 Favored 'General case' 0 CA--C 1.494 -1.187 0 N-CA-C 104.87 -2.27 . . . . 0.0 104.87 -178.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.637 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 50.3 ttp180 -57.7 -34.15 69.15 Favored 'General case' 0 CA--C 1.499 -1.018 0 CA-C-N 113.488 -1.687 . . . . 0.0 109.712 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -59.92 -26.71 66.15 Favored 'General case' 0 C--N 1.352 0.716 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -92.32 -69.38 0.75 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 106.431 -1.692 . . . . 0.0 106.431 177.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.568 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -172.19 -32.12 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.484 -1.594 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 179.061 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.568 ' H ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 86.12 -23.92 0.14 Allowed 'General case' 0 N--CA 1.435 -1.22 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 73.13 -153.98 0.07 Allowed 'General case' 0 N--CA 1.44 -0.936 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 73.2 -81.51 0.03 OUTLIER 'General case' 0 CA--C 1.493 -1.248 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.8 ttpt -62.95 -35.52 80.41 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 107.259 -1.385 . . . . 0.0 107.259 178.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.685 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -178.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.3 tt0 . . . . . 0 N--CA 1.488 1.457 0 CA-C-O 121.143 0.496 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 99.4 mtp -132.79 157.73 44.24 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 32.3 tpt180 -102.94 -53.15 2.9 Favored 'General case' 0 CA--C 1.476 -1.871 0 CA-C-N 115.142 -0.935 . . . . 0.0 108.536 -179.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.962 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -66.61 -37.12 84.2 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 105.864 -1.902 . . . . 0.0 105.864 179.066 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.9 t 45.94 -111.1 0.28 Allowed 'General case' 0 C--N 1.35 0.622 0 CA-C-N 115.399 -0.818 . . . . 0.0 109.203 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.668 ' CZ ' ' HB2' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -68.95 -117.85 0.0 OUTLIER 'General case' 0 N--CA 1.41 -2.441 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.655 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.25 7.53 15.26 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 107.108 -1.442 . . . . 0.0 107.108 -176.51 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.668 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 72.9 ttt-85 -58.82 -32.8 69.71 Favored 'General case' 0 CA--C 1.499 -1.013 0 CA-C-N 114.932 -1.031 . . . . 0.0 109.661 179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 74.2 m-80 -61.06 -23.4 65.43 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 -179.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 99.5 m-85 -98.75 -65.04 0.99 Allowed 'General case' 0 N--CA 1.438 -1.029 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.643 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.4 OUTLIER -162.87 -48.67 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.479 -1.787 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 179.391 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.764 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER 89.55 -22.18 0.12 Allowed 'General case' 0 CA--C 1.501 -0.939 0 O-C-N 124.337 1.023 . . . . 0.0 108.765 178.473 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.756 ' N ' HD13 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -78.03 177.76 8.04 Favored 'General case' 0 N--CA 1.436 -1.135 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 -178.139 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -111.32 -21.68 11.73 Favored 'General case' 0 CA--C 1.498 -1.037 0 N-CA-C 108.599 -0.889 . . . . 0.0 108.599 -178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -124.78 -10.64 7.26 Favored 'General case' 0 CA--C 1.499 -1.001 0 N-CA-C 107.958 -1.126 . . . . 0.0 107.958 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.681 ' H ' ' HB3' ' A' ' 14' ' ' GLN . 0.0 OUTLIER . . . . . 0 C--O 1.264 1.816 0 C-N-CA 124.261 1.024 . . . . 0.0 111.101 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 . . . . . 0 N--CA 1.488 1.452 0 CA-C-O 121.054 0.454 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.2 mtm -133.72 156.73 47.42 Favored 'General case' 0 CA--C 1.479 -1.775 0 N-CA-C 108.058 -1.089 . . . . 0.0 108.058 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 42.5 ttm180 -111.77 -54.4 2.61 Favored 'General case' 0 CA--C 1.475 -1.928 0 CA-C-N 114.871 -1.058 . . . . 0.0 108.496 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.914 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.15 -37.08 80.65 Favored 'General case' 0 N--CA 1.418 -2.064 0 N-CA-C 106.081 -1.822 . . . . 0.0 106.081 179.309 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.9 t 50.97 -118.26 1.22 Allowed 'General case' 0 C--N 1.35 0.595 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.686 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.4 OUTLIER -54.96 -108.29 0.0 OUTLIER 'General case' 0 N--CA 1.417 -2.085 0 CA-C-N 114.923 -1.035 . . . . 0.0 111.335 -179.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.686 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -115.69 7.37 14.7 Favored 'General case' 0 CA--C 1.492 -1.28 0 N-CA-C 105.313 -2.106 . . . . 0.0 105.313 -178.546 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.601 ' HB3' ' CZ ' ' A' ' 7' ' ' PHE . 17.8 ptm180 -58.56 -15.53 11.75 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 114.749 -1.114 . . . . 0.0 110.709 179.517 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.1 m-80 -70.07 -12.33 61.52 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 106.99 -1.485 . . . . 0.0 106.99 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.585 ' O ' HG23 ' A' ' 12' ' ' ILE . 11.4 t80 -125.37 -63.75 1.12 Allowed 'General case' 0 N--CA 1.437 -1.077 0 N-CA-C 106.983 -1.488 . . . . 0.0 106.983 178.354 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.751 HD12 ' H ' ' A' ' 13' ' ' LEU . 0.6 OUTLIER -165.06 -123.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.432 -1.357 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.751 ' H ' HD12 ' A' ' 12' ' ' ILE . 0.0 OUTLIER 155.78 -26.05 0.0 OUTLIER 'General case' 0 N--CA 1.435 -1.191 0 N-CA-C 105.067 -2.198 . . . . 0.0 105.067 -178.427 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.639 ' N ' HD23 ' A' ' 13' ' ' LEU . 4.0 tt0 27.73 -90.56 0.0 OUTLIER 'General case' 0 C--N 1.359 0.983 0 C-N-CA 125.006 1.322 . . . . 0.0 112.06 -178.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.479 ' H ' ' HE3' ' A' ' 17' ' ' LYS . 1.4 mpt_? -128.26 -83.65 0.59 Allowed 'General case' 0 CA--C 1.498 -1.034 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -79.82 -6.76 57.96 Favored 'General case' 0 CA--C 1.499 -0.992 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.775 -178.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.479 ' HE3' ' H ' ' A' ' 15' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.261 1.663 0 N-CA-C 108.485 -0.931 . . . . 0.0 108.485 -177.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 120.879 0.371 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 98.9 mtp -130.5 148.45 52.31 Favored 'General case' 0 CA--C 1.465 -2.313 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -108.76 -22.58 12.16 Favored 'General case' 0 N--CA 1.413 -2.288 0 CA-C-N 114.57 -1.196 . . . . 0.0 108.599 178.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.95 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -93.24 67.24 4.12 Favored 'General case' 0 N--CA 1.411 -2.424 0 N-CA-C 104.773 -2.306 . . . . 0.0 104.773 178.488 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 p -87.3 -73.66 0.47 Allowed 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 105.26 -2.126 . . . . 0.0 105.26 175.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.687 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER -82.44 -111.02 0.03 OUTLIER 'General case' 0 N--CA 1.413 -2.312 0 CA-C-N 114.815 -1.084 . . . . 0.0 108.593 -178.322 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.687 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -111.92 6.92 19.77 Favored 'General case' 0 CA--C 1.497 -1.062 0 N-CA-C 104.152 -2.536 . . . . 0.0 104.152 -178.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.599 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 53.5 ttp85 -55.17 -29.2 57.34 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 113.774 -1.557 . . . . 0.0 110.45 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -66.61 -12.11 56.56 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -179.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.508 ' O ' HG23 ' A' ' 12' ' ' ILE . 98.5 m-85 -118.12 -60.73 1.76 Allowed 'General case' 0 C--N 1.358 0.96 0 N-CA-C 106.537 -1.653 . . . . 0.0 106.537 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.538 HG21 ' HG2' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -171.18 -120.07 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.489 -1.383 0 N-CA-C 103.097 -2.927 . . . . 0.0 103.097 179.163 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.481 HD23 ' N ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER 155.55 -24.38 0.0 OUTLIER 'General case' 0 N--CA 1.434 -1.259 0 N-CA-C 104.685 -2.339 . . . . 0.0 104.685 -178.709 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' N ' HD23 ' A' ' 13' ' ' LEU . 20.9 mp0 -67.14 147.43 53.11 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-O 122.05 0.929 . . . . 0.0 109.306 -178.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -90.21 -1.25 57.91 Favored 'General case' 0 N--CA 1.434 -1.244 0 CA-C-N 114.612 -1.176 . . . . 0.0 108.64 -177.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.72 -12.99 18.67 Favored 'General case' 0 CA--C 1.497 -1.063 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 179.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.538 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.261 1.682 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 121.044 0.449 . . . . 0.0 110.428 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 59.8 mtt -132.57 158.37 42.35 Favored 'General case' 0 CA--C 1.481 -1.68 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -109.05 -53.25 2.67 Favored 'General case' 0 CA--C 1.473 -1.99 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.213 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.592 ' HB2' ' CD2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -59.95 -38.99 84.05 Favored 'General case' 0 N--CA 1.421 -1.882 0 N-CA-C 106.255 -1.757 . . . . 0.0 106.255 178.476 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.4 m 59.12 -102.66 0.15 Allowed 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 114.969 -1.014 . . . . 0.0 110.066 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.671 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.0 OUTLIER -10.16 -101.59 0.0 OUTLIER 'General case' 0 N--CA 1.42 -1.969 0 C-N-CA 127.244 2.218 . . . . 0.0 112.219 178.012 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.671 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -123.44 -1.86 8.54 Favored 'General case' 0 CA--C 1.491 -1.291 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 179.704 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.416 ' HB2' ' CE2' ' A' ' 7' ' ' PHE . 76.0 ttt-85 -54.2 -10.5 0.37 Allowed 'General case' 0 C--N 1.366 1.304 0 CA-C-N 114.55 -1.205 . . . . 0.0 111.035 -178.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -58.68 -36.23 73.85 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 105.942 -1.873 . . . . 0.0 105.942 177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -110.16 -64.34 1.27 Allowed 'General case' 0 C--N 1.359 1.018 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.202 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 HD12 ' N ' ' A' ' 13' ' ' LEU . 2.5 pp -155.63 -169.28 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.417 -2.082 0 N-CA-C 103.066 -2.939 . . . . 0.0 103.066 -179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD13 ' N ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -166.16 -18.61 0.02 OUTLIER 'General case' 0 N--CA 1.424 -1.775 0 C-N-CA 118.772 -1.171 . . . . 0.0 108.368 -178.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.816 ' N ' HD13 ' A' ' 13' ' ' LEU . 84.6 mt-30 -75.88 156.58 34.18 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-O 121.985 0.898 . . . . 0.0 109.39 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -0.85 42.79 Favored 'General case' 0 N--CA 1.439 -1.024 0 CA-C-N 114.738 -1.119 . . . . 0.0 109.192 -177.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -87.07 -9.71 54.74 Favored 'General case' 0 CA--C 1.494 -1.194 0 N-CA-C 106.565 -1.643 . . . . 0.0 106.565 179.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.439 ' HB2' HD13 ' A' ' 12' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--O 1.261 1.666 0 CA-C-O 117.886 -1.054 . . . . 0.0 108.328 -177.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 120.77 0.319 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 78.6 mtm -133.27 156.13 48.12 Favored 'General case' 0 CA--C 1.481 -1.703 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 54.6 ttt85 -113.08 -53.13 2.74 Favored 'General case' 0 CA--C 1.474 -1.948 0 CA-C-N 114.878 -1.055 . . . . 0.0 108.37 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.905 HD12 ' H ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.0 -35.92 79.13 Favored 'General case' 0 N--CA 1.418 -2.066 0 N-CA-C 106.29 -1.745 . . . . 0.0 106.29 179.398 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.5 t 61.48 -112.67 0.49 Allowed 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.265 -0.88 . . . . 0.0 108.92 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.436 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.691 ' HB2' ' CZ ' ' A' ' 8' ' ' PHE . 0.2 OUTLIER 2.97 -105.76 0.0 OUTLIER 'General case' 0 N--CA 1.432 -1.34 0 C-N-CA 126.111 1.764 . . . . 0.0 112.688 -178.805 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.691 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -124.43 13.37 8.81 Favored 'General case' 0 CA--C 1.494 -1.18 0 N-CA-C 104.323 -2.473 . . . . 0.0 104.323 -179.839 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.543 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 65.6 ttt180 -54.06 -28.9 41.69 Favored 'General case' 0 CA--C 1.498 -1.036 0 CA-C-N 113.219 -1.81 . . . . 0.0 110.492 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -61.86 -22.17 65.3 Favored 'General case' 0 N--CA 1.442 -0.833 0 N-CA-C 108.579 -0.897 . . . . 0.0 108.579 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' O ' HG23 ' A' ' 12' ' ' ILE . 99.2 m-85 -109.16 -65.86 1.11 Allowed 'General case' 0 C--N 1.356 0.884 0 N-CA-C 106.49 -1.67 . . . . 0.0 106.49 178.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.601 ' CD1' ' H ' ' A' ' 13' ' ' LEU . 0.9 OUTLIER -167.42 -116.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.487 -1.48 0 N-CA-C 103.456 -2.794 . . . . 0.0 103.456 179.28 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' H ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER 160.24 -16.05 0.0 OUTLIER 'General case' 0 N--CA 1.429 -1.509 0 N-CA-C 104.663 -2.347 . . . . 0.0 104.663 -178.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.518 ' O ' HD23 ' A' ' 13' ' ' LEU . 25.0 mt-30 77.68 -152.49 0.02 OUTLIER 'General case' 0 CA--C 1.487 -1.45 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 177.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER 67.76 -81.72 0.03 OUTLIER 'General case' 0 CA--C 1.501 -0.938 0 CA-C-N 115.383 -0.826 . . . . 0.0 109.877 177.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -69.21 -17.6 63.8 Favored 'General case' 0 CA--C 1.499 -0.995 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.263 1.777 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 . . . . . 0 N--CA 1.488 1.471 0 CA-C-O 120.749 0.309 . . . . 0.0 110.691 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 64.5 mtt -132.37 156.99 45.65 Favored 'General case' 0 CA--C 1.48 -1.727 0 N-CA-C 108.107 -1.072 . . . . 0.0 108.107 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 31.2 tpt180 -117.88 -52.68 2.42 Favored 'General case' 0 CA--C 1.477 -1.834 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.943 ' H ' HD12 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -68.41 -35.31 77.46 Favored 'General case' 0 N--CA 1.42 -1.966 0 N-CA-C 106.266 -1.753 . . . . 0.0 106.266 179.494 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.7 m 61.04 -109.62 0.39 Allowed 'General case' 0 CA--C 1.512 -0.502 0 CA-C-N 115.269 -0.878 . . . . 0.0 109.126 -179.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ORN . . . . . 0.416 ' O ' ' C ' ' A' ' 7' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.786 ' CE1' HD13 ' A' ' 13' ' ' LEU . 0.2 OUTLIER 1.17 -105.84 0.0 OUTLIER 'General case' 0 N--CA 1.43 -1.469 0 C-N-CA 126.333 1.853 . . . . 0.0 113.183 -179.281 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.709 ' CZ ' ' HB2' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -126.13 14.45 7.84 Favored 'General case' 0 CA--C 1.495 -1.138 0 N-CA-C 104.293 -2.484 . . . . 0.0 104.293 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.628 ' HB2' ' CZ ' ' A' ' 7' ' ' PHE . 70.2 ttt180 -55.84 -34.41 65.39 Favored 'General case' 0 CA--C 1.498 -1.043 0 CA-C-N 113.379 -1.737 . . . . 0.0 110.167 -179.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -61.17 -20.39 62.67 Favored 'General case' 0 N--CA 1.443 -0.805 0 N-CA-C 109.006 -0.738 . . . . 0.0 109.006 -179.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' C ' HG22 ' A' ' 12' ' ' ILE . 98.3 m-85 -112.65 -75.41 0.61 Allowed 'General case' 0 N--CA 1.441 -0.897 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 178.791 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.523 ' O ' HD13 ' A' ' 12' ' ' ILE . 0.1 OUTLIER -174.14 146.0 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.393 -3.29 0 N-CA-C 101.928 -3.36 . . . . 0.0 101.928 -178.819 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.816 HD21 ' HB3' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -118.42 -25.58 6.48 Favored 'General case' 0 N--CA 1.414 -2.233 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -178.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 76.92 -45.08 0.48 Allowed 'General case' 0 C--N 1.358 0.952 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.79 -40.06 93.89 Favored 'General case' 0 CA--C 1.504 -0.819 0 O-C-N 121.937 -0.477 . . . . 0.0 111.524 -176.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.816 ' HB3' HD21 ' A' ' 13' ' ' LEU . 35.8 ttpt -87.89 -13.58 41.59 Favored 'General case' 0 CA--C 1.506 -0.724 0 N-CA-C 108.412 -0.958 . . . . 0.0 108.412 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt . . . . . 0 C--O 1.263 1.769 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -179.48 . . . . . . . . 0 0 . 1 stop_ save_