data_2xl1_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2xl1 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.64 -48.07 82.52 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.373 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -47.54 84.92 Favored 'General case' 0 C--O 1.2 -1.504 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.458 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -61.29 -33.44 73.57 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.802 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.85 -62.55 1.38 Allowed 'General case' 0 CA--C 1.484 -1.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.556 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -28.09 66.53 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 118.912 -1.115 . . . . 0.0 110.941 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.8 tm? -67.19 -45.08 77.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.535 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.69 -46.52 88.82 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.996 0.903 . . . . 0.0 108.663 -177.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -72.88 -32.25 65.27 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.966 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -25.79 65.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -87.24 -31.78 20.1 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.651 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -85.13 -25.79 27.26 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 121.047 0.451 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.114 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.159 -179.151 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.035 0.921 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.92 -42.25 49.45 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 113.447 -1.706 . . . . 0.0 110.22 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' NE2' ' A' ' 17' ' ' HIS . 12.8 tp -65.95 -44.08 86.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.645 -174.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.6 t -66.2 -37.14 84.86 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.704 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.69 -61.06 2.42 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 121.988 0.899 . . . . 0.0 111.288 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.489 ' NE2' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.77 -27.44 66.76 Favored 'General case' 0 N--CA 1.404 -2.727 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.344 -170.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 18' ' ' LEU . 3.1 tm? -69.28 -46.76 66.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.502 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.3 -42.81 99.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -71.96 -29.28 64.1 Favored 'General case' 0 N--CA 1.398 -3.058 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.917 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.9 78.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.076 0.465 . . . . 0.0 110.195 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -81.75 -31.08 32.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -86.71 -23.5 25.51 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.84 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.178 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 CA--C 1.518 -0.283 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -67.8 -47.39 69.22 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.894 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -58.76 -46.99 86.22 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.492 -177.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -61.16 -34.42 75.0 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.715 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.15 -62.82 1.24 Allowed 'General case' 0 CA--C 1.483 -1.628 0 CA-C-O 121.82 0.819 . . . . 0.0 111.258 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.87 -27.87 65.19 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.306 -168.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.9 tm? -71.24 -44.34 65.51 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.859 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -61.79 -45.59 93.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.88 -25.29 61.87 Favored 'General case' 0 N--CA 1.403 -2.825 0 CA-C-N 114.568 -1.197 . . . . 0.0 111.878 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.33 73.28 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.08 0.467 . . . . 0.0 110.079 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -83.58 -29.22 27.96 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.132 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.55 -5.14 52.29 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.775 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -67.52 -44.09 79.25 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.171 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.45 -42.05 98.17 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.981 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 t -71.46 -32.79 68.7 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.835 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.17 -63.56 1.11 Allowed 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 121.859 0.838 . . . . 0.0 111.485 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -30.23 70.24 Favored 'General case' 0 N--CA 1.406 -2.661 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.619 -170.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.6 tm? -64.18 -45.28 89.08 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 123.803 0.689 . . . . 0.0 110.788 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.512 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.34 -47.53 85.65 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -72.92 -32.58 65.41 Favored 'General case' 0 N--CA 1.397 -3.079 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.767 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.5 70.06 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.619 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -88.17 -31.36 19.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.977 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -80.09 -28.19 39.15 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.862 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -177.434 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 121.048 0.451 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 -44.56 93.95 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.938 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.44 -44.01 96.24 Favored 'General case' 0 N--CA 1.419 -1.992 0 CA-C-N 113.562 -1.654 . . . . 0.0 109.509 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.41 -2.475 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.35 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.72 -62.2 1.57 Allowed 'General case' 0 CA--C 1.482 -1.643 0 CA-C-O 121.716 0.77 . . . . 0.0 111.295 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.82 74.36 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.291 -170.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.5 tm? -68.0 -43.27 79.26 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 123.549 0.739 . . . . 0.0 110.97 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -46.2 91.42 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -175.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -72.61 -28.71 62.94 Favored 'General case' 0 N--CA 1.402 -2.844 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.185 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -23.79 66.06 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.855 0.462 . . . . 0.0 111.035 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.06 -28.79 13.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.038 0.447 . . . . 0.0 110.187 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.87 -1.32 56.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 110.831 -0.063 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.21 -42.81 99.34 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 121.41 0.624 . . . . 0.0 110.075 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 HD13 ' NE2' ' A' ' 17' ' ' HIS . 9.3 tp -63.79 -39.2 93.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.779 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -68.12 -36.2 79.34 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.228 0.537 . . . . 0.0 109.978 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.92 -60.78 2.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 C-N-CA 124.438 1.095 . . . . 0.0 110.84 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.421 ' NE2' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.48 -27.64 65.39 Favored 'General case' 0 N--CA 1.407 -2.619 0 C-N-CA 118.986 -1.085 . . . . 0.0 111.227 -171.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.8 tm? -65.57 -45.91 81.46 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.935 0.772 . . . . 0.0 110.392 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.442 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -58.89 -46.83 86.9 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 122.315 1.055 . . . . 0.0 108.176 -176.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -73.09 -27.49 61.74 Favored 'General case' 1 N--CA 1.378 -4.028 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.317 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.55 68.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 0.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -87.69 -31.32 19.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.46 -12.1 44.03 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.767 0 CA-C-O 118.259 -0.877 . . . . 0.0 108.966 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.918 0.866 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.29 -44.7 82.76 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.822 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -59.21 -44.92 92.26 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.907 -178.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -63.15 -31.31 72.42 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.098 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.73 -62.59 1.44 Allowed 'General case' 0 CA--C 1.474 -1.947 0 CA-C-O 121.268 0.556 . . . . 0.0 111.517 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.29 -27.59 67.31 Favored 'General case' 0 C--O 1.181 -2.524 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.341 -170.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 18' ' ' LEU . 3.0 tm? -70.23 -48.19 58.08 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.217 0.323 . . . . 0.0 110.178 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.449 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.68 -42.0 91.94 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -177.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -71.86 -39.23 69.82 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.043 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -30.24 71.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.069 0.548 . . . . 0.0 111.218 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -81.22 -32.23 33.54 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.622 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -83.28 -27.94 29.47 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.211 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.064 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.4 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 CA--C 1.493 -1.24 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -67.93 -43.19 79.71 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.676 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.32 -45.46 91.21 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.014 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 m -66.02 -32.71 74.35 Favored 'General case' 0 N--CA 1.421 -1.916 0 CA-C-O 121.499 0.666 . . . . 0.0 110.756 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.35 -61.89 1.6 Allowed 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.183 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -27.3 67.71 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.198 -171.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.436 ' C ' HD12 ' A' ' 18' ' ' LEU . 3.1 tm? -65.82 -46.92 76.8 Favored 'General case' 0 N--CA 1.435 -1.197 0 O-C-N 123.808 0.693 . . . . 0.0 110.612 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.5 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -58.36 -43.96 88.6 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.463 1.125 . . . . 0.0 108.056 -177.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -72.19 -32.09 66.49 Favored 'General case' 0 N--CA 1.393 -3.299 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.557 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.35 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 122.925 0.49 . . . . 0.0 110.883 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -87.56 -29.79 21.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.37 -19.56 29.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 118.814 -0.612 . . . . 0.0 109.821 -178.433 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -68.25 -44.31 75.92 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.734 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -60.77 -42.55 97.71 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.353 -177.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -63.74 -34.77 78.62 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.59 0.233 . . . . 0.0 110.62 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.24 -62.78 1.25 Allowed 'General case' 0 CA--C 1.48 -1.723 0 CA-C-O 121.548 0.69 . . . . 0.0 111.434 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.09 -30.41 68.71 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.046 -170.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -70.98 -43.4 68.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.555 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.46 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.63 -45.63 93.34 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.472 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.23 -26.65 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 111.023 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -88.67 -30.52 19.09 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.96 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.18 -14.88 35.06 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.632 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.945 0.879 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -70.16 -45.98 65.62 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.371 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 15.7 tp -61.88 -50.38 72.43 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.969 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -65.54 -32.96 74.84 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.317 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.07 -57.12 6.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.382 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.78 -27.8 64.18 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.334 -173.373 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -65.97 -46.19 78.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 110.209 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.488 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -60.71 -45.08 95.58 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -177.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -72.25 -26.33 61.97 Favored 'General case' 0 N--CA 1.411 -2.416 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.129 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 -34.32 69.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.083 0.468 . . . . 0.0 109.982 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -81.4 -30.3 33.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -87.9 -20.26 26.22 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.678 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.641 -177.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.5 t70 . . . . . 0 CA--C 1.494 -1.203 0 CA-C-O 120.897 0.38 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -67.24 -47.99 69.11 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.122 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.32 -45.58 93.82 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 124.21 0.944 . . . . 0.0 109.73 -176.58 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -68.23 -37.12 80.49 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.372 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 3.8 t70 -67.71 -56.81 7.85 Favored 'General case' 0 CA--C 1.492 -1.271 0 CA-C-O 122.041 0.924 . . . . 0.0 110.286 -176.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.18 -27.87 64.87 Favored 'General case' 0 N--CA 1.411 -2.393 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.012 -171.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.454 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -69.7 -47.74 62.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.49 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -61.94 -43.49 98.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 6.1 tpp180 -70.35 -34.59 72.83 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.959 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.37 73.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.871 0.468 . . . . 0.0 111.22 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -82.02 -31.01 31.19 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.279 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -86.29 -27.06 24.6 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.424 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 CA--C 1.489 -1.402 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -62.79 -45.3 93.3 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.703 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 11.4 tp -62.82 -47.0 85.31 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.582 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 m -68.48 -28.42 67.02 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.226 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.93 -58.34 3.35 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 121.716 0.77 . . . . 0.0 110.637 -176.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -31.11 71.8 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.684 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' HD11 ' A' ' 18' ' ' LEU . 3.0 tm? -67.53 -47.44 69.89 Favored 'General case' 0 N--CA 1.433 -1.303 0 O-C-N 123.938 0.774 . . . . 0.0 110.027 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.18 -42.65 99.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -177.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 1.9 tpp180 -70.64 -36.38 73.39 Favored 'General case' 0 N--CA 1.414 -2.237 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.358 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.8 69.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.298 0.639 . . . . 0.0 111.202 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -81.81 -31.27 31.83 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.391 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -87.22 -15.61 37.71 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -68.43 -46.11 70.77 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.393 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.25 -45.6 92.7 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.319 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 30.6 t -73.6 -25.29 60.26 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.83 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -70.61 -60.8 2.05 Favored 'General case' 0 CA--C 1.486 -1.515 0 CA-C-O 121.864 0.84 . . . . 0.0 109.394 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -33.72 73.57 Favored 'General case' 0 N--CA 1.404 -2.749 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.068 -170.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.7 tm? -66.87 -46.17 75.82 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 123.569 0.543 . . . . 0.0 110.165 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.469 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -60.51 -46.6 89.53 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -176.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.1 tpp180 -71.39 -33.61 69.65 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.756 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -33.49 75.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.055 0.542 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.32 -30.3 23.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.037 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -85.34 -15.17 44.16 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.279 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 121.36 0.6 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -63.62 -42.49 98.19 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.213 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -42.73 81.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.893 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -64.97 -37.35 87.38 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.22 -61.97 1.61 Allowed 'General case' 0 CA--C 1.468 -2.178 0 CA-C-O 121.625 0.726 . . . . 0.0 111.418 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -27.85 67.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.021 -168.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.456 ' C ' HD11 ' A' ' 18' ' ' LEU . 3.1 tm? -69.64 -49.63 51.9 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -47.74 84.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -71.81 -25.51 62.02 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.507 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.8 62.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.031 0.443 . . . . 0.0 110.332 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.43 -30.28 42.23 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.286 -0.565 . . . . 0.0 109.717 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -88.51 -14.12 38.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-O 117.808 -1.091 . . . . 0.0 110.027 179.577 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -66.6 -45.98 77.43 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.751 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.66 -47.49 85.13 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.744 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -65.62 -37.17 85.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.209 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.65 -62.05 1.91 Allowed 'General case' 0 CA--C 1.488 -1.419 0 CA-C-O 121.685 0.755 . . . . 0.0 111.71 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -27.77 65.79 Favored 'General case' 0 N--CA 1.413 -2.285 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.724 -171.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.88 -44.7 84.55 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.438 0.695 . . . . 0.0 110.268 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.427 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.82 -44.91 95.91 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -176.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -71.65 -33.66 69.08 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.013 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -29.69 70.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.881 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -89.61 -30.11 18.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -87.44 -17.95 31.06 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 . . . . . 0 CA--C 1.49 -1.358 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -65.53 -49.2 69.82 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.18 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.69 93.83 Favored 'General case' 0 C--O 1.191 -1.98 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.373 -174.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.6 t -69.29 -37.09 77.67 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.968 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.63 -55.44 23.58 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 121.483 0.659 . . . . 0.0 110.606 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -27.86 61.97 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.865 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.9 tm? -70.37 -45.04 66.85 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 122.934 0.493 . . . . 0.0 110.703 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.459 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.67 -41.92 96.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -178.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 5.9 tpp180 -70.34 -39.06 74.94 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.254 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.27 -26.43 68.39 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.642 0.777 . . . . 0.0 112.062 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -90.08 -32.24 16.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.151 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.4 ' ND2' ' HE3' ' A' ' 19' ' ' TRP . 23.0 m-80 -82.81 -25.82 32.35 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.698 -178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.803 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 CA--C 1.502 -0.882 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -66.9 -49.0 66.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 114.42 -1.263 . . . . 0.0 111.862 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD13 ' NE2' ' A' ' 17' ' ' HIS . 11.9 tp -62.87 -44.37 96.3 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 124.0 0.812 . . . . 0.0 109.914 -174.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -65.29 -32.39 74.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.7 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.94 -60.25 2.32 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 121.611 0.72 . . . . 0.0 111.167 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.499 ' NE2' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.85 -29.06 68.11 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.798 -171.245 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.8 tm? -66.04 -47.97 72.63 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.217 0.607 . . . . 0.0 110.209 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.512 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -57.73 -46.3 84.62 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 122.051 0.929 . . . . 0.0 108.595 -176.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -72.31 -37.46 68.94 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.977 -175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.1 70.67 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.998 0.519 . . . . 0.0 111.116 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.78 -27.69 25.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.238 0.542 . . . . 0.0 110.17 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.55 -25.06 26.99 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.336 -178.708 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 CA--C 1.495 -1.148 0 CA-C-O 121.695 0.759 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.1 -46.89 76.01 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.254 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -60.5 -51.23 70.35 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.296 -174.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 49.0 m -61.34 -29.62 70.01 Favored 'General case' 0 N--CA 1.414 -2.235 0 CA-C-O 120.566 0.222 . . . . 0.0 111.554 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.46 -60.37 2.28 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.768 0.794 . . . . 0.0 110.695 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.26 -34.29 72.62 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.419 -170.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -70.96 -42.92 69.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 123.449 0.7 . . . . 0.0 110.846 -177.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.525 ' HB3' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -59.85 -44.8 93.92 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -177.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -72.27 -27.78 62.7 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.539 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -32.69 71.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.482 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.76 -31.64 22.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.07 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.52 -24.88 31.49 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.897 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.968 179.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.488 -1.442 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -59.97 -48.7 80.64 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 123.604 0.565 . . . . 0.0 110.632 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 12.4 tp -61.68 -44.46 96.9 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 124.375 1.047 . . . . 0.0 110.133 -175.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -68.62 -37.39 79.71 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.481 177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.75 -57.87 6.22 Favored 'General case' 0 CA--C 1.478 -1.824 0 C-N-CA 124.024 0.93 . . . . 0.0 111.05 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.9 -27.83 66.13 Favored 'General case' 0 N--CA 1.407 -2.581 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.269 -171.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' C ' HD11 ' A' ' 18' ' ' LEU . 3.1 tm? -64.43 -48.22 76.17 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 123.52 0.513 . . . . 0.0 109.63 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.43 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.01 -43.67 98.36 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -177.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.4 tpp180 -70.67 -30.66 67.32 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.99 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.22 71.43 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.218 0.607 . . . . 0.0 110.654 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -73.77 -26.99 60.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -93.12 -1.37 56.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.959 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.231 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.244 0.783 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -69.35 -43.7 73.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.917 -1.947 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.76 -50.56 71.9 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.669 -176.101 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 m -61.95 -31.91 72.28 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-O 120.678 0.275 . . . . 0.0 111.501 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.3 -61.67 1.69 Allowed 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.268 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.426 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.69 -29.06 65.25 Favored 'General case' 0 N--CA 1.414 -2.238 0 C-N-CA 118.931 -1.107 . . . . 0.0 111.571 -171.604 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.7 tm? -67.93 -43.34 79.37 Favored 'General case' 0 CA--C 1.502 -0.877 0 C-N-CA 123.143 0.577 . . . . 0.0 110.022 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.456 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -60.55 -45.24 94.63 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.121 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -72.13 -37.04 69.55 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.488 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.23 67.13 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.054 0.542 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -92.45 -30.25 15.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.664 0.268 . . . . 0.0 111.07 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -89.03 -16.14 32.37 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.366 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.6 -32.86 74.67 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.274 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -69.04 -41.52 77.55 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.64 -48.07 82.52 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.373 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -47.54 84.92 Favored 'General case' 0 C--O 1.2 -1.504 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.458 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -61.29 -33.44 73.57 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.802 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.85 -62.55 1.38 Allowed 'General case' 0 CA--C 1.484 -1.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.556 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -28.09 66.53 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 118.912 -1.115 . . . . 0.0 110.941 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.8 tm? -67.19 -45.08 77.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.04 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.535 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.69 -46.52 88.82 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.996 0.903 . . . . 0.0 108.663 -177.143 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -72.88 -32.25 65.27 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.966 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -25.79 65.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.535 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -87.24 -31.78 20.1 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.651 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -85.13 -25.79 27.26 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 121.047 0.451 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.114 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.159 -179.151 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.212 -0.919 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HG3' ' N ' ' A' ' 12' ' ' ASP . 11.2 pt20 -56.38 -39.14 72.46 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.784 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.479 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 13.9 m-20 -70.16 -36.91 75.04 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 122.035 0.921 . . . . 0.0 108.937 -172.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.92 -42.25 49.45 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 113.447 -1.706 . . . . 0.0 110.22 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD13 ' NE2' ' A' ' 17' ' ' HIS . 12.8 tp -65.95 -44.08 86.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.645 -174.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.6 t -66.2 -37.14 84.86 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.704 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.69 -61.06 2.42 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 121.988 0.899 . . . . 0.0 111.288 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.489 ' NE2' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.77 -27.44 66.76 Favored 'General case' 0 N--CA 1.404 -2.727 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.344 -170.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' C ' HD12 ' A' ' 18' ' ' LEU . 3.1 tm? -69.28 -46.76 66.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.502 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.3 -42.81 99.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.466 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -71.96 -29.28 64.1 Favored 'General case' 0 N--CA 1.398 -3.058 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.917 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.9 78.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.076 0.465 . . . . 0.0 110.195 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -81.75 -31.08 32.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -86.71 -23.5 25.51 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.84 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.178 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 C--O 1.207 -1.154 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.33 -36.79 83.82 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.901 0.773 . . . . 0.0 111.808 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.17 -32.07 62.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -67.8 -47.39 69.22 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.894 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -58.76 -46.99 86.22 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.492 -177.541 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -61.16 -34.42 75.0 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.715 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.15 -62.82 1.24 Allowed 'General case' 0 CA--C 1.483 -1.628 0 CA-C-O 121.82 0.819 . . . . 0.0 111.258 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.87 -27.87 65.19 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.306 -168.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.9 tm? -71.24 -44.34 65.51 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.859 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.409 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -61.79 -45.59 93.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.88 -25.29 61.87 Favored 'General case' 0 N--CA 1.403 -2.825 0 CA-C-N 114.568 -1.197 . . . . 0.0 111.878 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.33 73.28 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.08 0.467 . . . . 0.0 110.079 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -83.58 -29.22 27.96 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.132 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.55 -5.14 52.29 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.775 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.62 -28.7 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.659 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.08 -43.06 88.47 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -67.52 -44.09 79.25 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.171 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.45 -42.05 98.17 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.981 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 t -71.46 -32.79 68.7 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.835 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.17 -63.56 1.11 Allowed 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 121.859 0.838 . . . . 0.0 111.485 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -30.23 70.24 Favored 'General case' 0 N--CA 1.406 -2.661 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.619 -170.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.6 tm? -64.18 -45.28 89.08 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 123.803 0.689 . . . . 0.0 110.788 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.512 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.34 -47.53 85.65 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.035 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -72.92 -32.58 65.41 Favored 'General case' 0 N--CA 1.397 -3.079 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.767 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.5 70.06 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.619 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -88.17 -31.36 19.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.977 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -80.09 -28.19 39.15 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.862 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -177.434 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -57.52 -35.09 69.81 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.3 -38.78 55.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.865 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 -44.56 93.95 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.938 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.44 -44.01 96.24 Favored 'General case' 0 N--CA 1.419 -1.992 0 CA-C-N 113.562 -1.654 . . . . 0.0 109.509 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.41 -2.475 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.35 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.72 -62.2 1.57 Allowed 'General case' 0 CA--C 1.482 -1.643 0 CA-C-O 121.716 0.77 . . . . 0.0 111.295 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.79 -32.82 74.36 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.291 -170.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.5 tm? -68.0 -43.27 79.26 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 123.549 0.739 . . . . 0.0 110.97 -178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -46.2 91.42 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -175.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -72.61 -28.71 62.94 Favored 'General case' 0 N--CA 1.402 -2.844 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.185 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -23.79 66.06 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.855 0.462 . . . . 0.0 111.035 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 pp -97.06 -28.79 13.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.038 0.447 . . . . 0.0 110.187 177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.87 -1.32 56.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 40.7 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -64.4 -34.55 78.43 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -73.35 -40.97 64.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.831 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.21 -42.81 99.34 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 121.41 0.624 . . . . 0.0 110.075 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 HD13 ' NE2' ' A' ' 17' ' ' HIS . 9.3 tp -63.79 -39.2 93.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.779 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -68.12 -36.2 79.34 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.228 0.537 . . . . 0.0 109.978 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.92 -60.78 2.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 C-N-CA 124.438 1.095 . . . . 0.0 110.84 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.421 ' NE2' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.48 -27.64 65.39 Favored 'General case' 0 N--CA 1.407 -2.619 0 C-N-CA 118.986 -1.085 . . . . 0.0 111.227 -171.291 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.8 tm? -65.57 -45.91 81.46 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.935 0.772 . . . . 0.0 110.392 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.442 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -58.89 -46.83 86.9 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 122.315 1.055 . . . . 0.0 108.176 -176.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -73.09 -27.49 61.74 Favored 'General case' 1 N--CA 1.378 -4.028 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.317 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.55 68.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 0.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -87.69 -31.32 19.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.46 -12.1 44.03 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.767 0 CA-C-O 118.259 -0.877 . . . . 0.0 108.966 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.433 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 50.2 m . . . . . 0 C--O 1.211 -0.935 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.88 -33.13 73.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.441 0.564 . . . . 0.0 110.862 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -70.43 -42.87 71.01 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-O 121.918 0.866 . . . . 0.0 109.063 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.29 -44.7 82.76 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.822 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.478 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -59.21 -44.92 92.26 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.907 -178.347 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -63.15 -31.31 72.42 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.098 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.73 -62.59 1.44 Allowed 'General case' 0 CA--C 1.474 -1.947 0 CA-C-O 121.268 0.556 . . . . 0.0 111.517 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.478 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.29 -27.59 67.31 Favored 'General case' 0 C--O 1.181 -2.524 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.341 -170.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.463 ' C ' HD12 ' A' ' 18' ' ' LEU . 3.0 tm? -70.23 -48.19 58.08 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.217 0.323 . . . . 0.0 110.178 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.449 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.68 -42.0 91.94 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -177.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -71.86 -39.23 69.82 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.043 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -30.24 71.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.069 0.548 . . . . 0.0 111.218 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -81.22 -32.23 33.54 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.622 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -83.28 -27.94 29.47 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.211 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.064 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.4 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -66.7 -30.8 71.13 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.606 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.92 -43.02 94.18 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -67.93 -43.19 79.71 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.676 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.32 -45.46 91.21 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.014 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 m -66.02 -32.71 74.35 Favored 'General case' 0 N--CA 1.421 -1.916 0 CA-C-O 121.499 0.666 . . . . 0.0 110.756 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.35 -61.89 1.6 Allowed 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.183 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -27.3 67.71 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.198 -171.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.436 ' C ' HD12 ' A' ' 18' ' ' LEU . 3.1 tm? -65.82 -46.92 76.8 Favored 'General case' 0 N--CA 1.435 -1.197 0 O-C-N 123.808 0.693 . . . . 0.0 110.612 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.5 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -58.36 -43.96 88.6 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.463 1.125 . . . . 0.0 108.056 -177.641 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -72.19 -32.09 66.49 Favored 'General case' 0 N--CA 1.393 -3.299 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.557 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.35 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 122.925 0.49 . . . . 0.0 110.883 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.5 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -87.56 -29.79 21.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.37 -19.56 29.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 118.814 -0.612 . . . . 0.0 109.821 -178.433 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.416 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.6 m . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.46 -32.34 73.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.616 0.644 . . . . 0.0 112.123 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.01 -43.24 75.19 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 110.959 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -68.25 -44.31 75.92 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.734 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.437 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -60.77 -42.55 97.71 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.353 -177.365 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -63.74 -34.77 78.62 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.59 0.233 . . . . 0.0 110.62 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.24 -62.78 1.25 Allowed 'General case' 0 CA--C 1.48 -1.723 0 CA-C-O 121.548 0.69 . . . . 0.0 111.434 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.09 -30.41 68.71 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.046 -170.111 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -70.98 -43.4 68.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.555 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.46 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.63 -45.63 93.34 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.02 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.472 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.23 -26.65 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 111.023 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -88.67 -30.52 19.09 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.96 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.18 -14.88 35.06 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.632 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.436 -1.146 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.22 -31.22 71.91 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.236 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -62.51 -43.27 99.21 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.945 0.879 . . . . 0.0 108.792 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -70.16 -45.98 65.62 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.371 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 15.7 tp -61.88 -50.38 72.43 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.969 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -65.54 -32.96 74.84 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.317 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -68.07 -57.12 6.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.382 -178.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.78 -27.8 64.18 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.334 -173.373 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.428 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -65.97 -46.19 78.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 110.209 179.392 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.488 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -60.71 -45.08 95.58 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -177.401 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -72.25 -26.33 61.97 Favored 'General case' 0 N--CA 1.411 -2.416 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.129 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 -34.32 69.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.083 0.468 . . . . 0.0 109.982 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -81.4 -30.3 33.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -87.9 -20.26 26.22 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.678 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.641 -177.95 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -63.41 -34.83 78.6 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.928 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.5 t70 -63.56 -43.66 96.41 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 120.897 0.38 . . . . 0.0 110.376 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -67.24 -47.99 69.11 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.122 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.429 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.32 -45.58 93.82 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 124.21 0.944 . . . . 0.0 109.73 -176.58 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -68.23 -37.12 80.49 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.372 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.452 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 3.8 t70 -67.71 -56.81 7.85 Favored 'General case' 0 CA--C 1.492 -1.271 0 CA-C-O 122.041 0.924 . . . . 0.0 110.286 -176.669 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.429 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.18 -27.87 64.87 Favored 'General case' 0 N--CA 1.411 -2.393 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.012 -171.34 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.454 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -69.7 -47.74 62.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.49 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -61.94 -43.49 98.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.734 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.49 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 6.1 tpp180 -70.35 -34.59 72.83 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.959 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.37 73.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.871 0.468 . . . . 0.0 111.22 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -82.02 -31.01 31.19 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.279 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -86.29 -27.06 24.6 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.424 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.91 -30.81 64.2 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.361 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -65.99 -41.91 90.48 Favored 'General case' 0 CA--C 1.489 -1.402 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -62.79 -45.3 93.3 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.703 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 11.4 tp -62.82 -47.0 85.31 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.582 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 m -68.48 -28.42 67.02 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.226 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.93 -58.34 3.35 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 121.716 0.77 . . . . 0.0 110.637 -176.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.42 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -31.11 71.8 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.684 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' C ' HD11 ' A' ' 18' ' ' LEU . 3.0 tm? -67.53 -47.44 69.89 Favored 'General case' 0 N--CA 1.433 -1.303 0 O-C-N 123.938 0.774 . . . . 0.0 110.027 179.754 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.18 -42.65 99.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -177.585 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 1.9 tpp180 -70.64 -36.38 73.39 Favored 'General case' 0 N--CA 1.414 -2.237 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.358 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.8 69.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.298 0.639 . . . . 0.0 111.202 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.402 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -81.81 -31.27 31.83 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.391 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -87.22 -15.61 37.71 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.421 -1.903 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -67.55 -28.84 68.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 121.252 0.548 . . . . 0.0 109.642 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.75 -42.83 81.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -68.43 -46.11 70.77 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.393 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.25 -45.6 92.7 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.319 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 30.6 t -73.6 -25.29 60.26 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.83 178.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -70.61 -60.8 2.05 Favored 'General case' 0 CA--C 1.486 -1.515 0 CA-C-O 121.864 0.84 . . . . 0.0 109.394 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -33.72 73.57 Favored 'General case' 0 N--CA 1.404 -2.749 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.068 -170.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.431 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.7 tm? -66.87 -46.17 75.82 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 123.569 0.543 . . . . 0.0 110.165 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.469 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -60.51 -46.6 89.53 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -176.701 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.469 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.1 tpp180 -71.39 -33.61 69.65 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.756 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -33.49 75.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.055 0.542 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 pp -85.32 -30.3 23.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.037 179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -85.34 -15.17 44.16 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.279 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.438 -1.057 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -65.96 -25.12 66.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.217 0.532 . . . . 0.0 110.384 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.19 -43.45 64.49 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.595 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -63.62 -42.49 98.19 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.213 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.16 -42.73 81.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.893 -178.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -64.97 -37.35 87.38 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.22 -61.97 1.61 Allowed 'General case' 0 CA--C 1.468 -2.178 0 CA-C-O 121.625 0.726 . . . . 0.0 111.418 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -27.85 67.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.021 -168.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.456 ' C ' HD11 ' A' ' 18' ' ' LEU . 3.1 tm? -69.64 -49.63 51.9 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -60.08 -47.74 84.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -71.81 -25.51 62.02 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.507 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.8 62.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.031 0.443 . . . . 0.0 110.332 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.3 pp -79.43 -30.28 42.23 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.286 -0.565 . . . . 0.0 109.717 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -88.51 -14.12 38.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-O 117.808 -1.091 . . . . 0.0 110.027 179.577 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -55.88 -40.36 72.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.918 1.287 . . . . 0.0 112.867 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.23 -40.79 62.17 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 110.193 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -66.6 -45.98 77.43 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.751 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.66 -47.49 85.13 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.744 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -65.62 -37.17 85.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.209 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.65 -62.05 1.91 Allowed 'General case' 0 CA--C 1.488 -1.419 0 CA-C-O 121.685 0.755 . . . . 0.0 111.71 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -27.77 65.79 Favored 'General case' 0 N--CA 1.413 -2.285 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.724 -171.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.88 -44.7 84.55 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.438 0.695 . . . . 0.0 110.268 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.427 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.82 -44.91 95.91 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -176.346 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -71.65 -33.66 69.08 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.013 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -29.69 70.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.881 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.427 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -89.61 -30.11 18.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -87.44 -17.95 31.06 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -56.42 -39.89 73.82 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 124.577 1.151 . . . . 0.0 111.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -70.51 -42.9 70.68 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.399 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -65.53 -49.2 69.82 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.18 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.69 93.83 Favored 'General case' 0 C--O 1.191 -1.98 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.373 -174.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.6 t -69.29 -37.09 77.67 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.968 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.63 -55.44 23.58 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 121.483 0.659 . . . . 0.0 110.606 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -27.86 61.97 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.865 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.9 tm? -70.37 -45.04 66.85 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 122.934 0.493 . . . . 0.0 110.703 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.459 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.67 -41.92 96.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -178.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 5.9 tpp180 -70.34 -39.06 74.94 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.254 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.27 -26.43 68.39 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.642 0.777 . . . . 0.0 112.062 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.459 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -90.08 -32.24 16.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.151 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.4 ' ND2' ' HE3' ' A' ' 19' ' ' TRP . 23.0 m-80 -82.81 -25.82 32.35 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.698 -178.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.803 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.436 -1.157 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.06 -36.24 82.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.32 -42.78 83.07 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.914 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -66.9 -49.0 66.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 114.42 -1.263 . . . . 0.0 111.862 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD13 ' NE2' ' A' ' 17' ' ' HIS . 11.9 tp -62.87 -44.37 96.3 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 124.0 0.812 . . . . 0.0 109.914 -174.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -65.29 -32.39 74.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.7 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.94 -60.25 2.32 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 121.611 0.72 . . . . 0.0 111.167 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.499 ' NE2' HD13 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.85 -29.06 68.11 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.798 -171.245 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.414 ' C ' HD12 ' A' ' 18' ' ' LEU . 2.8 tm? -66.04 -47.97 72.63 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.217 0.607 . . . . 0.0 110.209 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.512 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -57.73 -46.3 84.62 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 122.051 0.929 . . . . 0.0 108.595 -176.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -72.31 -37.46 68.94 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.977 -175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.1 70.67 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.998 0.519 . . . . 0.0 111.116 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.512 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.78 -27.69 25.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.238 0.542 . . . . 0.0 110.17 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.55 -25.06 26.99 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.336 -178.708 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.04 -40.38 73.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 124.735 1.214 . . . . 0.0 111.222 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -70.01 -41.81 73.82 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 121.695 0.759 . . . . 0.0 109.221 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.1 -46.89 76.01 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.254 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -60.5 -51.23 70.35 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.296 -174.742 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.525 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 49.0 m -61.34 -29.62 70.01 Favored 'General case' 0 N--CA 1.414 -2.235 0 CA-C-O 120.566 0.222 . . . . 0.0 111.554 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.46 -60.37 2.28 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.768 0.794 . . . . 0.0 110.695 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.26 -34.29 72.62 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.419 -170.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.425 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.9 tm? -70.96 -42.92 69.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 123.449 0.7 . . . . 0.0 110.846 -177.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.525 ' HB3' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -59.85 -44.8 93.92 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -177.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -72.27 -27.78 62.7 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.539 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -32.69 71.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.482 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.44 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.76 -31.64 22.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.07 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.52 -24.88 31.49 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.897 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.968 179.257 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -63.23 -36.97 85.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.449 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.83 -40.4 69.12 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.01 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -59.97 -48.7 80.64 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 123.604 0.565 . . . . 0.0 110.632 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 12.4 tp -61.68 -44.46 96.9 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 124.375 1.047 . . . . 0.0 110.133 -175.451 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -68.62 -37.39 79.71 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.481 177.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.75 -57.87 6.22 Favored 'General case' 0 CA--C 1.478 -1.824 0 C-N-CA 124.024 0.93 . . . . 0.0 111.05 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.403 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.9 -27.83 66.13 Favored 'General case' 0 N--CA 1.407 -2.581 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.269 -171.495 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' C ' HD11 ' A' ' 18' ' ' LEU . 3.1 tm? -64.43 -48.22 76.17 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 123.52 0.513 . . . . 0.0 109.63 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.43 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.01 -43.67 98.36 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -177.765 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.43 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.4 tpp180 -70.67 -30.66 67.32 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.99 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.22 71.43 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.218 0.607 . . . . 0.0 110.654 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.418 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -73.77 -26.99 60.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -93.12 -1.37 56.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.959 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.231 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.437 -1.103 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -25.86 66.65 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -69.35 -43.36 73.78 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -69.35 -43.7 73.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.917 -1.947 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.76 -50.56 71.9 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.669 -176.101 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 m -61.95 -31.91 72.28 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-O 120.678 0.275 . . . . 0.0 111.501 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.3 -61.67 1.69 Allowed 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.268 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.426 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.69 -29.06 65.25 Favored 'General case' 0 N--CA 1.414 -2.238 0 C-N-CA 118.931 -1.107 . . . . 0.0 111.571 -171.604 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' C ' HD11 ' A' ' 18' ' ' LEU . 2.7 tm? -67.93 -43.34 79.37 Favored 'General case' 0 CA--C 1.502 -0.877 0 C-N-CA 123.143 0.577 . . . . 0.0 110.022 -179.542 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.456 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -60.55 -45.24 94.63 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.121 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -72.13 -37.04 69.55 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.488 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.23 67.13 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.054 0.542 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.456 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -92.45 -30.25 15.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.664 0.268 . . . . 0.0 111.07 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -89.03 -16.14 32.37 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.366 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.64 -48.07 82.52 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.373 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -47.54 84.92 Favored 'General case' 0 C--O 1.2 -1.504 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.458 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -61.29 -33.44 73.57 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.802 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.85 -62.55 1.38 Allowed 'General case' 0 CA--C 1.484 -1.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.556 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -28.09 66.53 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 118.912 -1.115 . . . . 0.0 110.941 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.19 -45.08 77.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.554 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.69 -46.52 88.82 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.996 0.903 . . . . 0.0 108.663 -177.143 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -72.88 -32.25 65.27 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.966 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -25.79 65.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -87.24 -31.78 20.1 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.651 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -85.13 -25.79 27.26 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 121.047 0.451 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.114 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.159 -179.151 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.035 0.921 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.92 -42.25 49.45 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 113.447 -1.706 . . . . 0.0 110.22 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' NE2' ' A' ' 17' ' ' HIS . 12.8 tp -65.95 -44.08 86.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.645 -174.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.6 t -66.2 -37.14 84.86 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.704 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.69 -61.06 2.42 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 121.988 0.899 . . . . 0.0 111.288 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.77 -27.44 66.76 Favored 'General case' 0 N--CA 1.404 -2.727 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.344 -170.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.28 -46.76 66.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.3 -42.81 99.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.466 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -71.96 -29.28 64.1 Favored 'General case' 0 N--CA 1.398 -3.058 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.917 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.9 78.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.076 0.465 . . . . 0.0 110.195 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -81.75 -31.08 32.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -86.71 -23.5 25.51 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.84 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.178 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 CA--C 1.518 -0.283 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -67.8 -47.39 69.22 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.894 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -58.76 -46.99 86.22 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.492 -177.541 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -61.16 -34.42 75.0 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.715 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.15 -62.82 1.24 Allowed 'General case' 0 CA--C 1.483 -1.628 0 CA-C-O 121.82 0.819 . . . . 0.0 111.258 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.87 -27.87 65.19 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.306 -168.774 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -71.24 -44.34 65.51 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.859 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.432 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -61.79 -45.59 93.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.88 -25.29 61.87 Favored 'General case' 0 N--CA 1.403 -2.825 0 CA-C-N 114.568 -1.197 . . . . 0.0 111.878 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.33 73.28 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.08 0.467 . . . . 0.0 110.079 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -83.58 -29.22 27.96 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.132 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.55 -5.14 52.29 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.775 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -67.52 -44.09 79.25 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.171 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.45 -42.05 98.17 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.981 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 t -71.46 -32.79 68.7 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.835 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.17 -63.56 1.11 Allowed 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 121.859 0.838 . . . . 0.0 111.485 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -30.23 70.24 Favored 'General case' 0 N--CA 1.406 -2.661 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.619 -170.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.6 tm? -64.18 -45.28 89.08 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 123.803 0.689 . . . . 0.0 110.788 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.53 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.34 -47.53 85.65 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.035 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -72.92 -32.58 65.41 Favored 'General case' 0 N--CA 1.397 -3.079 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.767 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.5 70.06 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.619 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -88.17 -31.36 19.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.977 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -80.09 -28.19 39.15 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.862 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -177.434 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 121.048 0.451 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 -44.56 93.95 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.938 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 12.6 tp -60.44 -44.01 96.24 Favored 'General case' 0 N--CA 1.419 -1.992 0 CA-C-N 113.562 -1.654 . . . . 0.0 109.509 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.41 -2.475 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.35 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.72 -62.2 1.57 Allowed 'General case' 0 CA--C 1.482 -1.643 0 CA-C-O 121.716 0.77 . . . . 0.0 111.295 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.79 -32.82 74.36 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.291 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.0 -43.27 79.26 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 123.549 0.739 . . . . 0.0 110.97 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.411 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -61.22 -46.2 91.42 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -175.593 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -72.61 -28.71 62.94 Favored 'General case' 0 N--CA 1.402 -2.844 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.185 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -23.79 66.06 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.855 0.462 . . . . 0.0 111.035 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -97.06 -28.79 13.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.038 0.447 . . . . 0.0 110.187 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.87 -1.32 56.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 110.831 -0.063 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.21 -42.81 99.34 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 121.41 0.624 . . . . 0.0 110.075 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 17' ' ' HIS . 9.3 tp -63.79 -39.2 93.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.779 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -68.12 -36.2 79.34 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.228 0.537 . . . . 0.0 109.978 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.92 -60.78 2.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 C-N-CA 124.438 1.095 . . . . 0.0 110.84 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.48 -27.64 65.39 Favored 'General case' 0 N--CA 1.407 -2.619 0 C-N-CA 118.986 -1.085 . . . . 0.0 111.227 -171.291 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.8 tm? -65.57 -45.91 81.46 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.935 0.772 . . . . 0.0 110.392 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.466 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -58.89 -46.83 86.9 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 122.315 1.055 . . . . 0.0 108.176 -176.409 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -73.09 -27.49 61.74 Favored 'General case' 1 N--CA 1.378 -4.028 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.317 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.55 68.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 0.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -87.69 -31.32 19.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.46 -12.1 44.03 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.767 0 CA-C-O 118.259 -0.877 . . . . 0.0 108.966 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.918 0.866 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.29 -44.7 82.76 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.822 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -59.21 -44.92 92.26 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.907 -178.347 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -63.15 -31.31 72.42 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.098 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.73 -62.59 1.44 Allowed 'General case' 0 CA--C 1.474 -1.947 0 CA-C-O 121.268 0.556 . . . . 0.0 111.517 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.29 -27.59 67.31 Favored 'General case' 0 C--O 1.181 -2.524 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.341 -170.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.0 tm? -70.23 -48.19 58.08 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.217 0.323 . . . . 0.0 110.178 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.471 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.68 -42.0 91.94 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -177.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -71.86 -39.23 69.82 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.043 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -30.24 71.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.069 0.548 . . . . 0.0 111.218 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -81.22 -32.23 33.54 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.622 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -83.28 -27.94 29.47 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.211 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.064 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.4 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 CA--C 1.493 -1.24 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -67.93 -43.19 79.71 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.676 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.32 -45.46 91.21 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.014 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 m -66.02 -32.71 74.35 Favored 'General case' 0 N--CA 1.421 -1.916 0 CA-C-O 121.499 0.666 . . . . 0.0 110.756 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.35 -61.89 1.6 Allowed 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.183 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -27.3 67.71 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.198 -171.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.431 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -65.82 -46.92 76.8 Favored 'General case' 0 N--CA 1.435 -1.197 0 O-C-N 123.808 0.693 . . . . 0.0 110.612 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -58.36 -43.96 88.6 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.463 1.125 . . . . 0.0 108.056 -177.641 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -72.19 -32.09 66.49 Favored 'General case' 0 N--CA 1.393 -3.299 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.557 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.35 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 122.925 0.49 . . . . 0.0 110.883 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -87.56 -29.79 21.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.37 -19.56 29.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 118.814 -0.612 . . . . 0.0 109.821 -178.433 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -68.25 -44.31 75.92 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.734 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -60.77 -42.55 97.71 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.353 -177.365 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -63.74 -34.77 78.62 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.59 0.233 . . . . 0.0 110.62 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.24 -62.78 1.25 Allowed 'General case' 0 CA--C 1.48 -1.723 0 CA-C-O 121.548 0.69 . . . . 0.0 111.434 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.09 -30.41 68.71 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.046 -170.111 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -70.98 -43.4 68.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.555 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.63 -45.63 93.34 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.02 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.472 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.23 -26.65 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 111.023 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -88.67 -30.52 19.09 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.96 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.18 -14.88 35.06 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.632 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 20.7 m-20 . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.945 0.879 . . . . 0.0 108.792 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -70.16 -45.98 65.62 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.371 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.731 HD12 ' HE1' ' A' ' 17' ' ' HIS . 15.7 tp -61.88 -50.38 72.43 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.969 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -65.54 -32.96 74.84 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.317 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 1.3 t70 -68.07 -57.12 6.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.382 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.731 ' HE1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.78 -27.8 64.18 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.334 -173.373 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.97 -46.19 78.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 110.209 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -60.71 -45.08 95.58 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -177.401 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -72.25 -26.33 61.97 Favored 'General case' 0 N--CA 1.411 -2.416 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.129 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 -34.32 69.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.083 0.468 . . . . 0.0 109.982 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -81.4 -30.3 33.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -87.9 -20.26 26.22 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.678 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.641 -177.95 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.5 t70 . . . . . 0 CA--C 1.494 -1.203 0 CA-C-O 120.897 0.38 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -67.24 -47.99 69.11 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.122 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -45.58 93.82 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 124.21 0.944 . . . . 0.0 109.73 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -68.23 -37.12 80.49 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.372 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 3.8 t70 -67.71 -56.81 7.85 Favored 'General case' 0 CA--C 1.492 -1.271 0 CA-C-O 122.041 0.924 . . . . 0.0 110.286 -176.669 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -27.87 64.87 Favored 'General case' 0 N--CA 1.411 -2.393 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.012 -171.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.9 tm? -69.7 -47.74 62.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -61.94 -43.49 98.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.734 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 6.1 tpp180 -70.35 -34.59 72.83 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.959 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.37 73.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.871 0.468 . . . . 0.0 111.22 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -82.02 -31.01 31.19 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.279 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -86.29 -27.06 24.6 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.424 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 CA--C 1.489 -1.402 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -62.79 -45.3 93.3 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.703 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 11.4 tp -62.82 -47.0 85.31 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.582 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 m -68.48 -28.42 67.02 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.226 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.93 -58.34 3.35 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 121.716 0.77 . . . . 0.0 110.637 -176.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -31.11 71.8 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.684 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.53 -47.44 69.89 Favored 'General case' 0 N--CA 1.433 -1.303 0 O-C-N 123.938 0.774 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.18 -42.65 99.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -177.585 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 1.9 tpp180 -70.64 -36.38 73.39 Favored 'General case' 0 N--CA 1.414 -2.237 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.358 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.8 69.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.298 0.639 . . . . 0.0 111.202 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' TRP . 1.1 pp -81.81 -31.27 31.83 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.391 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -87.22 -15.61 37.71 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -68.43 -46.11 70.77 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.393 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.25 -45.6 92.7 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.319 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.6 t -73.6 -25.29 60.26 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.83 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -70.61 -60.8 2.05 Favored 'General case' 0 CA--C 1.486 -1.515 0 CA-C-O 121.864 0.84 . . . . 0.0 109.394 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -33.72 73.57 Favored 'General case' 0 N--CA 1.404 -2.749 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.068 -170.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.7 tm? -66.87 -46.17 75.82 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 123.569 0.543 . . . . 0.0 110.165 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -60.51 -46.6 89.53 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -176.701 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.1 tpp180 -71.39 -33.61 69.65 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.756 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -33.49 75.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.055 0.542 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -85.32 -30.3 23.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.037 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -85.34 -15.17 44.16 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.279 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 121.36 0.6 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -63.62 -42.49 98.19 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.213 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -57.16 -42.73 81.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.893 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -64.97 -37.35 87.38 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.22 -61.97 1.61 Allowed 'General case' 0 CA--C 1.468 -2.178 0 CA-C-O 121.625 0.726 . . . . 0.0 111.418 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.28 -27.85 67.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.021 -168.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.64 -49.63 51.9 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.08 -47.74 84.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.248 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -71.81 -25.51 62.02 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.507 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.8 62.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.031 0.443 . . . . 0.0 110.332 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -79.43 -30.28 42.23 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.286 -0.565 . . . . 0.0 109.717 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -88.51 -14.12 38.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-O 117.808 -1.091 . . . . 0.0 110.027 179.577 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -66.6 -45.98 77.43 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.751 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.66 -47.49 85.13 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.744 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -65.62 -37.17 85.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.209 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.65 -62.05 1.91 Allowed 'General case' 0 CA--C 1.488 -1.419 0 CA-C-O 121.685 0.755 . . . . 0.0 111.71 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -27.77 65.79 Favored 'General case' 0 N--CA 1.413 -2.285 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.724 -171.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.88 -44.7 84.55 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.438 0.695 . . . . 0.0 110.268 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.82 -44.91 95.91 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -176.346 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -71.65 -33.66 69.08 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.013 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -29.69 70.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.881 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -89.61 -30.11 18.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -87.44 -17.95 31.06 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 . . . . . 0 CA--C 1.49 -1.358 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -65.53 -49.2 69.82 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.18 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.69 93.83 Favored 'General case' 0 C--O 1.191 -1.98 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.373 -174.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.6 t -69.29 -37.09 77.67 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.968 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.63 -55.44 23.58 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 121.483 0.659 . . . . 0.0 110.606 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -27.86 61.97 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.865 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.37 -45.04 66.85 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 122.934 0.493 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.479 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.67 -41.92 96.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -178.375 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 5.9 tpp180 -70.34 -39.06 74.94 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.254 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.27 -26.43 68.39 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.642 0.777 . . . . 0.0 112.062 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -90.08 -32.24 16.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.151 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -82.81 -25.82 32.35 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.698 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.803 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 CA--C 1.502 -0.882 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -66.9 -49.0 66.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 114.42 -1.263 . . . . 0.0 111.862 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD12 ' NE2' ' A' ' 17' ' ' HIS . 11.9 tp -62.87 -44.37 96.3 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 124.0 0.812 . . . . 0.0 109.914 -174.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -65.29 -32.39 74.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.7 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.94 -60.25 2.32 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 121.611 0.72 . . . . 0.0 111.167 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.85 -29.06 68.11 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.798 -171.245 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.04 -47.97 72.63 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.217 0.607 . . . . 0.0 110.209 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -57.73 -46.3 84.62 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 122.051 0.929 . . . . 0.0 108.595 -176.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -72.31 -37.46 68.94 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.977 -175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.1 70.67 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.998 0.519 . . . . 0.0 111.116 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.78 -27.69 25.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.238 0.542 . . . . 0.0 110.17 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.55 -25.06 26.99 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.336 -178.708 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 CA--C 1.495 -1.148 0 CA-C-O 121.695 0.759 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.1 -46.89 76.01 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.254 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -60.5 -51.23 70.35 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.296 -174.742 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 49.0 m -61.34 -29.62 70.01 Favored 'General case' 0 N--CA 1.414 -2.235 0 CA-C-O 120.566 0.222 . . . . 0.0 111.554 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.46 -60.37 2.28 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.768 0.794 . . . . 0.0 110.695 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.26 -34.29 72.62 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.419 -170.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.96 -42.92 69.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 123.449 0.7 . . . . 0.0 110.846 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -59.85 -44.8 93.92 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -177.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -72.27 -27.78 62.7 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.539 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -32.69 71.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.482 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.76 -31.64 22.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.07 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.52 -24.88 31.49 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.897 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.968 179.257 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.488 -1.442 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -59.97 -48.7 80.64 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 123.604 0.565 . . . . 0.0 110.632 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 12.4 tp -61.68 -44.46 96.9 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 124.375 1.047 . . . . 0.0 110.133 -175.451 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -68.62 -37.39 79.71 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.481 177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.75 -57.87 6.22 Favored 'General case' 0 CA--C 1.478 -1.824 0 C-N-CA 124.024 0.93 . . . . 0.0 111.05 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.9 -27.83 66.13 Favored 'General case' 0 N--CA 1.407 -2.581 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.269 -171.495 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -64.43 -48.22 76.17 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 123.52 0.513 . . . . 0.0 109.63 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.439 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.01 -43.67 98.36 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -177.765 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.4 tpp180 -70.67 -30.66 67.32 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.99 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.22 71.43 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.218 0.607 . . . . 0.0 110.654 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -73.77 -26.99 60.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -93.12 -1.37 56.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.959 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.231 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.244 0.783 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -69.35 -43.7 73.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.917 -1.947 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.76 -50.56 71.9 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.669 -176.101 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 m -61.95 -31.91 72.28 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-O 120.678 0.275 . . . . 0.0 111.501 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.3 -61.67 1.69 Allowed 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.268 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.69 -29.06 65.25 Favored 'General case' 0 N--CA 1.414 -2.238 0 C-N-CA 118.931 -1.107 . . . . 0.0 111.571 -171.604 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.93 -43.34 79.37 Favored 'General case' 0 CA--C 1.502 -0.877 0 C-N-CA 123.143 0.577 . . . . 0.0 110.022 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -60.55 -45.24 94.63 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.121 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -72.13 -37.04 69.55 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.488 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.23 67.13 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.054 0.542 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -92.45 -30.25 15.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.664 0.268 . . . . 0.0 111.07 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -89.03 -16.14 32.37 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.366 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.6 -32.86 74.67 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.274 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -69.04 -41.52 77.55 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.64 -48.07 82.52 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.373 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -47.54 84.92 Favored 'General case' 0 C--O 1.2 -1.504 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.458 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -61.29 -33.44 73.57 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.802 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.85 -62.55 1.38 Allowed 'General case' 0 CA--C 1.484 -1.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.556 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -28.09 66.53 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 118.912 -1.115 . . . . 0.0 110.941 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.19 -45.08 77.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.554 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.69 -46.52 88.82 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.996 0.903 . . . . 0.0 108.663 -177.143 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -72.88 -32.25 65.27 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.966 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -25.79 65.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -87.24 -31.78 20.1 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.651 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -85.13 -25.79 27.26 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 121.047 0.451 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.114 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.159 -179.151 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.212 -0.919 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 12' ' ' ASP . 11.2 pt20 -56.38 -39.14 72.46 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.784 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 13.9 m-20 -70.16 -36.91 75.04 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 122.035 0.921 . . . . 0.0 108.937 -172.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.92 -42.25 49.45 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 113.447 -1.706 . . . . 0.0 110.22 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' NE2' ' A' ' 17' ' ' HIS . 12.8 tp -65.95 -44.08 86.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.645 -174.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.6 t -66.2 -37.14 84.86 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.704 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.69 -61.06 2.42 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 121.988 0.899 . . . . 0.0 111.288 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.77 -27.44 66.76 Favored 'General case' 0 N--CA 1.404 -2.727 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.344 -170.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.28 -46.76 66.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.3 -42.81 99.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.466 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -71.96 -29.28 64.1 Favored 'General case' 0 N--CA 1.398 -3.058 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.917 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.9 78.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.076 0.465 . . . . 0.0 110.195 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -81.75 -31.08 32.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -86.71 -23.5 25.51 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.84 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.178 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 19.9 m . . . . . 0 C--O 1.207 -1.154 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.33 -36.79 83.82 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.901 0.773 . . . . 0.0 111.808 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.17 -32.07 62.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -67.8 -47.39 69.22 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.894 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -58.76 -46.99 86.22 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.492 -177.541 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -61.16 -34.42 75.0 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.715 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.15 -62.82 1.24 Allowed 'General case' 0 CA--C 1.483 -1.628 0 CA-C-O 121.82 0.819 . . . . 0.0 111.258 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.87 -27.87 65.19 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.306 -168.774 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -71.24 -44.34 65.51 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.859 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.432 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -61.79 -45.59 93.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.88 -25.29 61.87 Favored 'General case' 0 N--CA 1.403 -2.825 0 CA-C-N 114.568 -1.197 . . . . 0.0 111.878 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.33 73.28 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.08 0.467 . . . . 0.0 110.079 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -83.58 -29.22 27.96 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.132 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.55 -5.14 52.29 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.775 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.62 -28.7 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.659 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.08 -43.06 88.47 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -67.52 -44.09 79.25 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.171 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.45 -42.05 98.17 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.981 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 t -71.46 -32.79 68.7 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.835 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.17 -63.56 1.11 Allowed 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 121.859 0.838 . . . . 0.0 111.485 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -30.23 70.24 Favored 'General case' 0 N--CA 1.406 -2.661 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.619 -170.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.6 tm? -64.18 -45.28 89.08 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 123.803 0.689 . . . . 0.0 110.788 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.53 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.34 -47.53 85.65 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.035 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -72.92 -32.58 65.41 Favored 'General case' 0 N--CA 1.397 -3.079 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.767 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.5 70.06 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.619 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -88.17 -31.36 19.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.977 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -80.09 -28.19 39.15 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.862 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -177.434 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -57.52 -35.09 69.81 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.3 -38.78 55.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.865 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 -44.56 93.95 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.938 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 12.6 tp -60.44 -44.01 96.24 Favored 'General case' 0 N--CA 1.419 -1.992 0 CA-C-N 113.562 -1.654 . . . . 0.0 109.509 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.41 -2.475 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.35 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.72 -62.2 1.57 Allowed 'General case' 0 CA--C 1.482 -1.643 0 CA-C-O 121.716 0.77 . . . . 0.0 111.295 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.79 -32.82 74.36 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.291 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.0 -43.27 79.26 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 123.549 0.739 . . . . 0.0 110.97 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.411 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -61.22 -46.2 91.42 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -175.593 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -72.61 -28.71 62.94 Favored 'General case' 0 N--CA 1.402 -2.844 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.185 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -23.79 66.06 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.855 0.462 . . . . 0.0 111.035 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -97.06 -28.79 13.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.038 0.447 . . . . 0.0 110.187 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.87 -1.32 56.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 40.7 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -64.4 -34.55 78.43 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -73.35 -40.97 64.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.831 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.21 -42.81 99.34 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 121.41 0.624 . . . . 0.0 110.075 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 17' ' ' HIS . 9.3 tp -63.79 -39.2 93.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.779 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -68.12 -36.2 79.34 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.228 0.537 . . . . 0.0 109.978 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.92 -60.78 2.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 C-N-CA 124.438 1.095 . . . . 0.0 110.84 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.48 -27.64 65.39 Favored 'General case' 0 N--CA 1.407 -2.619 0 C-N-CA 118.986 -1.085 . . . . 0.0 111.227 -171.291 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.8 tm? -65.57 -45.91 81.46 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.935 0.772 . . . . 0.0 110.392 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.466 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -58.89 -46.83 86.9 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 122.315 1.055 . . . . 0.0 108.176 -176.409 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -73.09 -27.49 61.74 Favored 'General case' 1 N--CA 1.378 -4.028 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.317 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.55 68.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 0.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -87.69 -31.32 19.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.46 -12.1 44.03 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.767 0 CA-C-O 118.259 -0.877 . . . . 0.0 108.966 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 50.2 m . . . . . 0 C--O 1.211 -0.935 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.88 -33.13 73.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.441 0.564 . . . . 0.0 110.862 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -70.43 -42.87 71.01 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-O 121.918 0.866 . . . . 0.0 109.063 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.29 -44.7 82.76 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.822 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -59.21 -44.92 92.26 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.907 -178.347 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -63.15 -31.31 72.42 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.098 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.73 -62.59 1.44 Allowed 'General case' 0 CA--C 1.474 -1.947 0 CA-C-O 121.268 0.556 . . . . 0.0 111.517 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.29 -27.59 67.31 Favored 'General case' 0 C--O 1.181 -2.524 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.341 -170.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.0 tm? -70.23 -48.19 58.08 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.217 0.323 . . . . 0.0 110.178 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.471 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.68 -42.0 91.94 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -177.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -71.86 -39.23 69.82 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.043 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -30.24 71.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.069 0.548 . . . . 0.0 111.218 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -81.22 -32.23 33.54 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.622 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -83.28 -27.94 29.47 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.211 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.064 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.4 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -66.7 -30.8 71.13 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.606 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.92 -43.02 94.18 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -67.93 -43.19 79.71 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.676 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.32 -45.46 91.21 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.014 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 m -66.02 -32.71 74.35 Favored 'General case' 0 N--CA 1.421 -1.916 0 CA-C-O 121.499 0.666 . . . . 0.0 110.756 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.35 -61.89 1.6 Allowed 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.183 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -27.3 67.71 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.198 -171.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.431 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -65.82 -46.92 76.8 Favored 'General case' 0 N--CA 1.435 -1.197 0 O-C-N 123.808 0.693 . . . . 0.0 110.612 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -58.36 -43.96 88.6 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.463 1.125 . . . . 0.0 108.056 -177.641 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -72.19 -32.09 66.49 Favored 'General case' 0 N--CA 1.393 -3.299 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.557 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.35 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 122.925 0.49 . . . . 0.0 110.883 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -87.56 -29.79 21.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.37 -19.56 29.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 118.814 -0.612 . . . . 0.0 109.821 -178.433 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.6 m . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.46 -32.34 73.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.616 0.644 . . . . 0.0 112.123 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.01 -43.24 75.19 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 110.959 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -68.25 -44.31 75.92 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.734 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -60.77 -42.55 97.71 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.353 -177.365 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -63.74 -34.77 78.62 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.59 0.233 . . . . 0.0 110.62 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.24 -62.78 1.25 Allowed 'General case' 0 CA--C 1.48 -1.723 0 CA-C-O 121.548 0.69 . . . . 0.0 111.434 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.09 -30.41 68.71 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.046 -170.111 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -70.98 -43.4 68.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.555 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.63 -45.63 93.34 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.02 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.472 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.23 -26.65 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 111.023 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -88.67 -30.52 19.09 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.96 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.18 -14.88 35.06 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.632 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.436 -1.146 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.22 -31.22 71.91 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.236 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 20.7 m-20 -62.51 -43.27 99.21 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.945 0.879 . . . . 0.0 108.792 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -70.16 -45.98 65.62 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.371 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.731 HD12 ' HE1' ' A' ' 17' ' ' HIS . 15.7 tp -61.88 -50.38 72.43 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.969 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -65.54 -32.96 74.84 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.317 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 1.3 t70 -68.07 -57.12 6.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.382 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.731 ' HE1' HD12 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -70.78 -27.8 64.18 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.334 -173.373 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.97 -46.19 78.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 110.209 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -60.71 -45.08 95.58 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -177.401 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -72.25 -26.33 61.97 Favored 'General case' 0 N--CA 1.411 -2.416 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.129 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 -34.32 69.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.083 0.468 . . . . 0.0 109.982 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -81.4 -30.3 33.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -87.9 -20.26 26.22 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.678 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.641 -177.95 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -63.41 -34.83 78.6 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.928 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.5 t70 -63.56 -43.66 96.41 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 120.897 0.38 . . . . 0.0 110.376 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -67.24 -47.99 69.11 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.122 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.32 -45.58 93.82 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 124.21 0.944 . . . . 0.0 109.73 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -68.23 -37.12 80.49 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.372 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 3.8 t70 -67.71 -56.81 7.85 Favored 'General case' 0 CA--C 1.492 -1.271 0 CA-C-O 122.041 0.924 . . . . 0.0 110.286 -176.669 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -27.87 64.87 Favored 'General case' 0 N--CA 1.411 -2.393 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.012 -171.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.9 tm? -69.7 -47.74 62.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -61.94 -43.49 98.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.734 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 6.1 tpp180 -70.35 -34.59 72.83 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.959 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.37 73.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.871 0.468 . . . . 0.0 111.22 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -82.02 -31.01 31.19 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.279 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -86.29 -27.06 24.6 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.424 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.91 -30.81 64.2 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.361 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -65.99 -41.91 90.48 Favored 'General case' 0 CA--C 1.489 -1.402 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -62.79 -45.3 93.3 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.703 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 11.4 tp -62.82 -47.0 85.31 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.582 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 m -68.48 -28.42 67.02 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.226 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.93 -58.34 3.35 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 121.716 0.77 . . . . 0.0 110.637 -176.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -31.11 71.8 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.684 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.53 -47.44 69.89 Favored 'General case' 0 N--CA 1.433 -1.303 0 O-C-N 123.938 0.774 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.18 -42.65 99.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -177.585 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 1.9 tpp180 -70.64 -36.38 73.39 Favored 'General case' 0 N--CA 1.414 -2.237 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.358 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.8 69.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.298 0.639 . . . . 0.0 111.202 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' TRP . 1.1 pp -81.81 -31.27 31.83 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.391 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -87.22 -15.61 37.71 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.421 -1.903 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -67.55 -28.84 68.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 121.252 0.548 . . . . 0.0 109.642 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.75 -42.83 81.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -68.43 -46.11 70.77 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.393 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.25 -45.6 92.7 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.319 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.6 t -73.6 -25.29 60.26 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.83 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -70.61 -60.8 2.05 Favored 'General case' 0 CA--C 1.486 -1.515 0 CA-C-O 121.864 0.84 . . . . 0.0 109.394 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -33.72 73.57 Favored 'General case' 0 N--CA 1.404 -2.749 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.068 -170.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.7 tm? -66.87 -46.17 75.82 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 123.569 0.543 . . . . 0.0 110.165 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -60.51 -46.6 89.53 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -176.701 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.1 tpp180 -71.39 -33.61 69.65 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.756 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -33.49 75.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.055 0.542 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -85.32 -30.3 23.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.037 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -85.34 -15.17 44.16 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.279 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.438 -1.057 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -65.96 -25.12 66.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.217 0.532 . . . . 0.0 110.384 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.19 -43.45 64.49 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.595 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -63.62 -42.49 98.19 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.213 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -57.16 -42.73 81.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.893 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -64.97 -37.35 87.38 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.22 -61.97 1.61 Allowed 'General case' 0 CA--C 1.468 -2.178 0 CA-C-O 121.625 0.726 . . . . 0.0 111.418 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.28 -27.85 67.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.021 -168.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.64 -49.63 51.9 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.08 -47.74 84.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.248 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -71.81 -25.51 62.02 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.507 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.8 62.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.031 0.443 . . . . 0.0 110.332 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -79.43 -30.28 42.23 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.286 -0.565 . . . . 0.0 109.717 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -88.51 -14.12 38.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-O 117.808 -1.091 . . . . 0.0 110.027 179.577 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -55.88 -40.36 72.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.918 1.287 . . . . 0.0 112.867 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.23 -40.79 62.17 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 110.193 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -66.6 -45.98 77.43 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.751 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.66 -47.49 85.13 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.744 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -65.62 -37.17 85.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.209 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.65 -62.05 1.91 Allowed 'General case' 0 CA--C 1.488 -1.419 0 CA-C-O 121.685 0.755 . . . . 0.0 111.71 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -27.77 65.79 Favored 'General case' 0 N--CA 1.413 -2.285 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.724 -171.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.88 -44.7 84.55 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.438 0.695 . . . . 0.0 110.268 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.82 -44.91 95.91 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -176.346 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -71.65 -33.66 69.08 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.013 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -29.69 70.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.881 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -89.61 -30.11 18.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -87.44 -17.95 31.06 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -56.42 -39.89 73.82 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 124.577 1.151 . . . . 0.0 111.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -70.51 -42.9 70.68 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.399 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -65.53 -49.2 69.82 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.18 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.69 93.83 Favored 'General case' 0 C--O 1.191 -1.98 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.373 -174.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.6 t -69.29 -37.09 77.67 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.968 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.63 -55.44 23.58 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 121.483 0.659 . . . . 0.0 110.606 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -27.86 61.97 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.865 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.37 -45.04 66.85 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 122.934 0.493 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.479 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.67 -41.92 96.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -178.375 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 5.9 tpp180 -70.34 -39.06 74.94 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.254 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.27 -26.43 68.39 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.642 0.777 . . . . 0.0 112.062 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -90.08 -32.24 16.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.151 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -82.81 -25.82 32.35 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.698 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.803 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.436 -1.157 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.06 -36.24 82.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.32 -42.78 83.07 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.914 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -66.9 -49.0 66.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 114.42 -1.263 . . . . 0.0 111.862 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD12 ' NE2' ' A' ' 17' ' ' HIS . 11.9 tp -62.87 -44.37 96.3 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 124.0 0.812 . . . . 0.0 109.914 -174.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -65.29 -32.39 74.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.7 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.94 -60.25 2.32 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 121.611 0.72 . . . . 0.0 111.167 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.85 -29.06 68.11 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.798 -171.245 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.04 -47.97 72.63 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.217 0.607 . . . . 0.0 110.209 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -57.73 -46.3 84.62 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 122.051 0.929 . . . . 0.0 108.595 -176.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -72.31 -37.46 68.94 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.977 -175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.1 70.67 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.998 0.519 . . . . 0.0 111.116 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.78 -27.69 25.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.238 0.542 . . . . 0.0 110.17 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.55 -25.06 26.99 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.336 -178.708 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.04 -40.38 73.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 124.735 1.214 . . . . 0.0 111.222 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -70.01 -41.81 73.82 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 121.695 0.759 . . . . 0.0 109.221 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.1 -46.89 76.01 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.254 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -60.5 -51.23 70.35 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.296 -174.742 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 49.0 m -61.34 -29.62 70.01 Favored 'General case' 0 N--CA 1.414 -2.235 0 CA-C-O 120.566 0.222 . . . . 0.0 111.554 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.46 -60.37 2.28 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.768 0.794 . . . . 0.0 110.695 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.26 -34.29 72.62 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.419 -170.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.96 -42.92 69.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 123.449 0.7 . . . . 0.0 110.846 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -59.85 -44.8 93.92 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -177.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -72.27 -27.78 62.7 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.539 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -32.69 71.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.482 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.76 -31.64 22.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.07 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.52 -24.88 31.49 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.897 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.968 179.257 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -63.23 -36.97 85.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.449 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.83 -40.4 69.12 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.01 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -59.97 -48.7 80.64 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 123.604 0.565 . . . . 0.0 110.632 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 12.4 tp -61.68 -44.46 96.9 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 124.375 1.047 . . . . 0.0 110.133 -175.451 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -68.62 -37.39 79.71 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.481 177.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.75 -57.87 6.22 Favored 'General case' 0 CA--C 1.478 -1.824 0 C-N-CA 124.024 0.93 . . . . 0.0 111.05 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.9 -27.83 66.13 Favored 'General case' 0 N--CA 1.407 -2.581 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.269 -171.495 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -64.43 -48.22 76.17 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 123.52 0.513 . . . . 0.0 109.63 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.439 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.01 -43.67 98.36 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -177.765 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.4 tpp180 -70.67 -30.66 67.32 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.99 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.22 71.43 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.218 0.607 . . . . 0.0 110.654 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -73.77 -26.99 60.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -93.12 -1.37 56.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.959 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.231 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.437 -1.103 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -25.86 66.65 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -69.35 -43.36 73.78 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -69.35 -43.7 73.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.917 -1.947 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.76 -50.56 71.9 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.669 -176.101 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 m -61.95 -31.91 72.28 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-O 120.678 0.275 . . . . 0.0 111.501 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.3 -61.67 1.69 Allowed 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.268 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.69 -29.06 65.25 Favored 'General case' 0 N--CA 1.414 -2.238 0 C-N-CA 118.931 -1.107 . . . . 0.0 111.571 -171.604 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.93 -43.34 79.37 Favored 'General case' 0 CA--C 1.502 -0.877 0 C-N-CA 123.143 0.577 . . . . 0.0 110.022 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -60.55 -45.24 94.63 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.121 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -72.13 -37.04 69.55 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.488 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.23 67.13 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.054 0.542 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -92.45 -30.25 15.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.664 0.268 . . . . 0.0 111.07 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -89.03 -16.14 32.37 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.366 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 . . . . . 0 CA--C 1.504 -0.802 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.64 -48.07 82.52 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.373 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -47.54 84.92 Favored 'General case' 0 C--O 1.2 -1.504 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.458 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -61.29 -33.44 73.57 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.802 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.85 -62.55 1.38 Allowed 'General case' 0 CA--C 1.484 -1.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.556 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -28.09 66.53 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 118.912 -1.115 . . . . 0.0 110.941 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.19 -45.08 77.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.554 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.69 -46.52 88.82 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.996 0.903 . . . . 0.0 108.663 -177.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -72.88 -32.25 65.27 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.966 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -25.79 65.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -87.24 -31.78 20.1 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.651 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -85.13 -25.79 27.26 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 121.047 0.451 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.114 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.159 -179.151 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.497 -1.083 0 CA-C-O 122.035 0.921 . . . . 0.0 108.937 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.92 -42.25 49.45 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 113.447 -1.706 . . . . 0.0 110.22 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' NE2' ' A' ' 17' ' ' HIS . 12.8 tp -65.95 -44.08 86.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.645 -174.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.6 t -66.2 -37.14 84.86 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.704 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.69 -61.06 2.42 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 121.988 0.899 . . . . 0.0 111.288 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.77 -27.44 66.76 Favored 'General case' 0 N--CA 1.404 -2.727 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.344 -170.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.28 -46.76 66.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.3 -42.81 99.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -71.96 -29.28 64.1 Favored 'General case' 0 N--CA 1.398 -3.058 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.917 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.9 78.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.076 0.465 . . . . 0.0 110.195 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -81.75 -31.08 32.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -86.71 -23.5 25.51 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.84 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.178 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 CA--C 1.518 -0.283 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -67.8 -47.39 69.22 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.894 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -58.76 -46.99 86.22 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.492 -177.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -61.16 -34.42 75.0 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.715 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.15 -62.82 1.24 Allowed 'General case' 0 CA--C 1.483 -1.628 0 CA-C-O 121.82 0.819 . . . . 0.0 111.258 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.87 -27.87 65.19 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.306 -168.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -71.24 -44.34 65.51 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.859 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.432 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -61.79 -45.59 93.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.88 -25.29 61.87 Favored 'General case' 0 N--CA 1.403 -2.825 0 CA-C-N 114.568 -1.197 . . . . 0.0 111.878 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.33 73.28 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.08 0.467 . . . . 0.0 110.079 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -83.58 -29.22 27.96 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.132 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.55 -5.14 52.29 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.775 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 . . . . . 0 CA--C 1.502 -0.899 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -67.52 -44.09 79.25 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.171 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.45 -42.05 98.17 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.981 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 t -71.46 -32.79 68.7 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.835 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.17 -63.56 1.11 Allowed 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 121.859 0.838 . . . . 0.0 111.485 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -30.23 70.24 Favored 'General case' 0 N--CA 1.406 -2.661 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.619 -170.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.6 tm? -64.18 -45.28 89.08 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 123.803 0.689 . . . . 0.0 110.788 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.53 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.34 -47.53 85.65 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -72.92 -32.58 65.41 Favored 'General case' 0 N--CA 1.397 -3.079 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.767 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.5 70.06 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.619 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -88.17 -31.36 19.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.977 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -80.09 -28.19 39.15 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.862 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -177.434 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 . . . . . 0 CA--C 1.518 -0.253 0 CA-C-O 121.048 0.451 . . . . 0.0 109.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 -44.56 93.95 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.938 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 12.6 tp -60.44 -44.01 96.24 Favored 'General case' 0 N--CA 1.419 -1.992 0 CA-C-N 113.562 -1.654 . . . . 0.0 109.509 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.41 -2.475 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.35 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.72 -62.2 1.57 Allowed 'General case' 0 CA--C 1.482 -1.643 0 CA-C-O 121.716 0.77 . . . . 0.0 111.295 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.79 -32.82 74.36 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.291 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.0 -43.27 79.26 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 123.549 0.739 . . . . 0.0 110.97 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.411 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -61.22 -46.2 91.42 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -175.593 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -72.61 -28.71 62.94 Favored 'General case' 0 N--CA 1.402 -2.844 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.185 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -23.79 66.06 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.855 0.462 . . . . 0.0 111.035 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -97.06 -28.79 13.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.038 0.447 . . . . 0.0 110.187 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.87 -1.32 56.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 . . . . . 0 CA--C 1.504 -0.812 0 N-CA-C 110.831 -0.063 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.21 -42.81 99.34 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 121.41 0.624 . . . . 0.0 110.075 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 17' ' ' HIS . 9.3 tp -63.79 -39.2 93.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.779 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -68.12 -36.2 79.34 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.228 0.537 . . . . 0.0 109.978 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.92 -60.78 2.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 C-N-CA 124.438 1.095 . . . . 0.0 110.84 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.416 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.48 -27.64 65.39 Favored 'General case' 0 N--CA 1.407 -2.619 0 C-N-CA 118.986 -1.085 . . . . 0.0 111.227 -171.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.8 tm? -65.57 -45.91 81.46 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.935 0.772 . . . . 0.0 110.392 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.466 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -58.89 -46.83 86.9 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 122.315 1.055 . . . . 0.0 108.176 -176.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -73.09 -27.49 61.74 Favored 'General case' 1 N--CA 1.378 -4.028 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.317 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.55 68.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 0.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -87.69 -31.32 19.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.46 -12.1 44.03 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.767 0 CA-C-O 118.259 -0.877 . . . . 0.0 108.966 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 . . . . . 0 CA--C 1.504 -0.818 0 CA-C-O 121.918 0.866 . . . . 0.0 109.063 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.29 -44.7 82.76 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.822 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -59.21 -44.92 92.26 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.907 -178.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -63.15 -31.31 72.42 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.098 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.73 -62.59 1.44 Allowed 'General case' 0 CA--C 1.474 -1.947 0 CA-C-O 121.268 0.556 . . . . 0.0 111.517 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.29 -27.59 67.31 Favored 'General case' 0 C--O 1.181 -2.524 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.341 -170.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.0 tm? -70.23 -48.19 58.08 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.217 0.323 . . . . 0.0 110.178 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.471 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.68 -42.0 91.94 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -177.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -71.86 -39.23 69.82 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.043 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -30.24 71.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.069 0.548 . . . . 0.0 111.218 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -81.22 -32.23 33.54 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.622 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -83.28 -27.94 29.47 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.211 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.064 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.4 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 . . . . . 0 CA--C 1.493 -1.24 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -67.93 -43.19 79.71 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.676 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.32 -45.46 91.21 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.014 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 m -66.02 -32.71 74.35 Favored 'General case' 0 N--CA 1.421 -1.916 0 CA-C-O 121.499 0.666 . . . . 0.0 110.756 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.35 -61.89 1.6 Allowed 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.183 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -27.3 67.71 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.198 -171.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.431 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -65.82 -46.92 76.8 Favored 'General case' 0 N--CA 1.435 -1.197 0 O-C-N 123.808 0.693 . . . . 0.0 110.612 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -58.36 -43.96 88.6 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.463 1.125 . . . . 0.0 108.056 -177.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -72.19 -32.09 66.49 Favored 'General case' 0 N--CA 1.393 -3.299 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.557 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.35 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 122.925 0.49 . . . . 0.0 110.883 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -87.56 -29.79 21.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.37 -19.56 29.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 118.814 -0.612 . . . . 0.0 109.821 -178.433 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 CA--C 1.509 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -68.25 -44.31 75.92 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.734 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -60.77 -42.55 97.71 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.353 -177.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -63.74 -34.77 78.62 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.59 0.233 . . . . 0.0 110.62 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.24 -62.78 1.25 Allowed 'General case' 0 CA--C 1.48 -1.723 0 CA-C-O 121.548 0.69 . . . . 0.0 111.434 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.09 -30.41 68.71 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.046 -170.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -70.98 -43.4 68.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.555 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.63 -45.63 93.34 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.472 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.23 -26.65 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 111.023 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -88.67 -30.52 19.09 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.96 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.18 -14.88 35.06 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.632 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 20.7 m-20 . . . . . 0 N--CA 1.472 0.662 0 CA-C-O 121.945 0.879 . . . . 0.0 108.792 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -70.16 -45.98 65.62 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.371 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 15.7 tp -61.88 -50.38 72.43 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.969 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -65.54 -32.96 74.84 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.317 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 1.3 t70 -68.07 -57.12 6.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.382 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.78 -27.8 64.18 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.334 -173.373 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.97 -46.19 78.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 110.209 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -60.71 -45.08 95.58 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -177.401 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -72.25 -26.33 61.97 Favored 'General case' 0 N--CA 1.411 -2.416 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.129 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 -34.32 69.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.083 0.468 . . . . 0.0 109.982 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -81.4 -30.3 33.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -87.9 -20.26 26.22 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.678 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.641 -177.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.5 t70 . . . . . 0 CA--C 1.494 -1.203 0 CA-C-O 120.897 0.38 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -67.24 -47.99 69.11 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.122 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.32 -45.58 93.82 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 124.21 0.944 . . . . 0.0 109.73 -176.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -68.23 -37.12 80.49 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.372 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 3.8 t70 -67.71 -56.81 7.85 Favored 'General case' 0 CA--C 1.492 -1.271 0 CA-C-O 122.041 0.924 . . . . 0.0 110.286 -176.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.18 -27.87 64.87 Favored 'General case' 0 N--CA 1.411 -2.393 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.012 -171.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.9 tm? -69.7 -47.74 62.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -61.94 -43.49 98.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 6.1 tpp180 -70.35 -34.59 72.83 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.959 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.37 73.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.871 0.468 . . . . 0.0 111.22 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -82.02 -31.01 31.19 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.279 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -86.29 -27.06 24.6 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.424 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 . . . . . 0 CA--C 1.489 -1.402 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -62.79 -45.3 93.3 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.703 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 11.4 tp -62.82 -47.0 85.31 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.582 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 m -68.48 -28.42 67.02 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.226 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.93 -58.34 3.35 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 121.716 0.77 . . . . 0.0 110.637 -176.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -31.11 71.8 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.684 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.53 -47.44 69.89 Favored 'General case' 0 N--CA 1.433 -1.303 0 O-C-N 123.938 0.774 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.18 -42.65 99.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -177.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 1.9 tpp180 -70.64 -36.38 73.39 Favored 'General case' 0 N--CA 1.414 -2.237 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.358 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.8 69.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.298 0.639 . . . . 0.0 111.202 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' TRP . 1.1 pp -81.81 -31.27 31.83 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.391 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -87.22 -15.61 37.71 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 CA--C 1.51 -0.575 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -68.43 -46.11 70.77 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.393 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.25 -45.6 92.7 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.319 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.6 t -73.6 -25.29 60.26 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.83 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -70.61 -60.8 2.05 Favored 'General case' 0 CA--C 1.486 -1.515 0 CA-C-O 121.864 0.84 . . . . 0.0 109.394 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -33.72 73.57 Favored 'General case' 0 N--CA 1.404 -2.749 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.068 -170.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.7 tm? -66.87 -46.17 75.82 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 123.569 0.543 . . . . 0.0 110.165 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -60.51 -46.6 89.53 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -176.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.1 tpp180 -71.39 -33.61 69.65 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.756 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -33.49 75.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.055 0.542 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -85.32 -30.3 23.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.037 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -85.34 -15.17 44.16 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.279 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 . . . . . 0 N--CA 1.448 -0.541 0 CA-C-O 121.36 0.6 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -63.62 -42.49 98.19 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.213 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -57.16 -42.73 81.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.893 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -64.97 -37.35 87.38 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.22 -61.97 1.61 Allowed 'General case' 0 CA--C 1.468 -2.178 0 CA-C-O 121.625 0.726 . . . . 0.0 111.418 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.28 -27.85 67.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.021 -168.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.64 -49.63 51.9 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.08 -47.74 84.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -71.81 -25.51 62.02 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.507 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.8 62.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.031 0.443 . . . . 0.0 110.332 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -79.43 -30.28 42.23 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.286 -0.565 . . . . 0.0 109.717 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -88.51 -14.12 38.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-O 117.808 -1.091 . . . . 0.0 110.027 179.577 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 . . . . . 0 CA--C 1.497 -1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -66.6 -45.98 77.43 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.751 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.66 -47.49 85.13 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.744 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -65.62 -37.17 85.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.209 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.65 -62.05 1.91 Allowed 'General case' 0 CA--C 1.488 -1.419 0 CA-C-O 121.685 0.755 . . . . 0.0 111.71 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -27.77 65.79 Favored 'General case' 0 N--CA 1.413 -2.285 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.724 -171.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.88 -44.7 84.55 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.438 0.695 . . . . 0.0 110.268 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.82 -44.91 95.91 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -176.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -71.65 -33.66 69.08 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.013 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -29.69 70.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.881 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -89.61 -30.11 18.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -87.44 -17.95 31.06 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 . . . . . 0 CA--C 1.49 -1.358 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -65.53 -49.2 69.82 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.18 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.69 93.83 Favored 'General case' 0 C--O 1.191 -1.98 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.373 -174.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.6 t -69.29 -37.09 77.67 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.968 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.63 -55.44 23.58 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 121.483 0.659 . . . . 0.0 110.606 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -27.86 61.97 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.865 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.37 -45.04 66.85 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 122.934 0.493 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.479 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.67 -41.92 96.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -178.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 5.9 tpp180 -70.34 -39.06 74.94 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.254 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.27 -26.43 68.39 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.642 0.777 . . . . 0.0 112.062 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -90.08 -32.24 16.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.151 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -82.81 -25.82 32.35 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.698 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.803 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 CA--C 1.502 -0.882 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -66.9 -49.0 66.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 114.42 -1.263 . . . . 0.0 111.862 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 HD12 ' NE2' ' A' ' 17' ' ' HIS . 11.9 tp -62.87 -44.37 96.3 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 124.0 0.812 . . . . 0.0 109.914 -174.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -65.29 -32.39 74.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.7 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.94 -60.25 2.32 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 121.611 0.72 . . . . 0.0 111.167 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.494 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.85 -29.06 68.11 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.798 -171.245 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.04 -47.97 72.63 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.217 0.607 . . . . 0.0 110.209 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -57.73 -46.3 84.62 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 122.051 0.929 . . . . 0.0 108.595 -176.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -72.31 -37.46 68.94 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.977 -175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.1 70.67 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.998 0.519 . . . . 0.0 111.116 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.78 -27.69 25.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.238 0.542 . . . . 0.0 110.17 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.55 -25.06 26.99 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.336 -178.708 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 . . . . . 0 CA--C 1.495 -1.148 0 CA-C-O 121.695 0.759 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.1 -46.89 76.01 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.254 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -60.5 -51.23 70.35 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.296 -174.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 49.0 m -61.34 -29.62 70.01 Favored 'General case' 0 N--CA 1.414 -2.235 0 CA-C-O 120.566 0.222 . . . . 0.0 111.554 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.46 -60.37 2.28 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.768 0.794 . . . . 0.0 110.695 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.26 -34.29 72.62 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.419 -170.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.96 -42.92 69.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 123.449 0.7 . . . . 0.0 110.846 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -59.85 -44.8 93.92 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -177.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -72.27 -27.78 62.7 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.539 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -32.69 71.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.482 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.76 -31.64 22.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.07 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.52 -24.88 31.49 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.897 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.968 179.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 CA--C 1.488 -1.442 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -59.97 -48.7 80.64 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 123.604 0.565 . . . . 0.0 110.632 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 12.4 tp -61.68 -44.46 96.9 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 124.375 1.047 . . . . 0.0 110.133 -175.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -68.62 -37.39 79.71 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.481 177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.75 -57.87 6.22 Favored 'General case' 0 CA--C 1.478 -1.824 0 C-N-CA 124.024 0.93 . . . . 0.0 111.05 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.9 -27.83 66.13 Favored 'General case' 0 N--CA 1.407 -2.581 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.269 -171.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -64.43 -48.22 76.17 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 123.52 0.513 . . . . 0.0 109.63 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.439 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.01 -43.67 98.36 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -177.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.4 tpp180 -70.67 -30.66 67.32 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.99 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.22 71.43 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.218 0.607 . . . . 0.0 110.654 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -73.77 -26.99 60.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -93.12 -1.37 56.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.959 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.231 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.244 0.783 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -69.35 -43.7 73.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.917 -1.947 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.76 -50.56 71.9 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.669 -176.101 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 m -61.95 -31.91 72.28 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-O 120.678 0.275 . . . . 0.0 111.501 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.3 -61.67 1.69 Allowed 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.268 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.69 -29.06 65.25 Favored 'General case' 0 N--CA 1.414 -2.238 0 C-N-CA 118.931 -1.107 . . . . 0.0 111.571 -171.604 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.93 -43.34 79.37 Favored 'General case' 0 CA--C 1.502 -0.877 0 C-N-CA 123.143 0.577 . . . . 0.0 110.022 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -60.55 -45.24 94.63 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.121 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -72.13 -37.04 69.55 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.488 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.23 67.13 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.054 0.542 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -92.45 -30.25 15.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.664 0.268 . . . . 0.0 111.07 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -89.03 -16.14 32.37 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.366 -179.101 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.3 m . . . . . 0 N--CA 1.44 -0.962 0 N-CA-C 112.579 0.585 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -65.6 -32.86 74.67 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 119.831 -0.748 . . . . 0.0 111.274 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -69.04 -41.52 77.55 Favored 'General case' 0 CA--C 1.504 -0.802 0 N-CA-C 108.809 -0.812 . . . . 0.0 108.809 -178.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -61.64 -48.07 82.52 Favored 'General case' 0 CA--C 1.5 -0.97 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.373 177.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -47.54 84.92 Favored 'General case' 0 C--O 1.2 -1.504 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.458 -177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 17.6 m -61.29 -33.44 73.57 Favored 'General case' 0 N--CA 1.427 -1.576 0 CA-C-O 121.458 0.647 . . . . 0.0 110.802 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -71.85 -62.55 1.38 Allowed 'General case' 0 CA--C 1.484 -1.558 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.556 -177.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -28.09 66.53 Favored 'General case' 0 N--CA 1.417 -2.12 0 C-N-CA 118.912 -1.115 . . . . 0.0 110.941 -170.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -67.19 -45.08 77.99 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.04 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.554 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.69 -46.52 88.82 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 121.996 0.903 . . . . 0.0 108.663 -177.143 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttp-105 -72.88 -32.25 65.27 Favored 'General case' 0 N--CA 1.405 -2.719 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.966 -176.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.13 -25.79 65.46 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 120.849 0.357 . . . . 0.0 110.946 178.359 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.554 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -87.24 -31.78 20.1 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.182 -0.607 . . . . 0.0 109.651 177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.8 m-80 -85.13 -25.79 27.26 Favored 'General case' 0 CA--C 1.495 -1.162 0 CA-C-O 121.047 0.451 . . . . 0.0 112.15 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.114 0 CA-C-O 118.165 -0.921 . . . . 0.0 109.159 -179.151 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 18.3 m . . . . . 0 C--O 1.212 -0.919 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.486 ' HG3' ' N ' ' A' ' 12' ' ' ASP . 11.2 pt20 -56.38 -39.14 72.46 Favored 'General case' 0 N--CA 1.49 1.528 0 CA-C-O 121.236 0.541 . . . . 0.0 111.784 -178.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.486 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 13.9 m-20 -70.16 -36.91 75.04 Favored 'General case' 0 CA--C 1.497 -1.083 0 CA-C-O 122.035 0.921 . . . . 0.0 108.937 -172.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -75.92 -42.25 49.45 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 113.447 -1.706 . . . . 0.0 110.22 179.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 HD12 ' NE2' ' A' ' 17' ' ' HIS . 12.8 tp -65.95 -44.08 86.07 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.645 -174.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 36.6 t -66.2 -37.14 84.86 Favored 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.704 175.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -64.69 -61.06 2.42 Favored 'General case' 0 CA--C 1.487 -1.478 0 CA-C-O 121.988 0.899 . . . . 0.0 111.288 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.77 -27.44 66.76 Favored 'General case' 0 N--CA 1.404 -2.727 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.344 -170.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.28 -46.76 66.43 Favored 'General case' 0 N--CA 1.43 -1.469 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 178.352 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -61.3 -42.81 99.29 Favored 'General case' 0 C--O 1.238 0.498 0 N-CA-C 107.653 -1.24 . . . . 0.0 107.653 -177.466 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 -71.96 -29.28 64.1 Favored 'General case' 0 N--CA 1.398 -3.058 0 CA-C-N 114.205 -1.361 . . . . 0.0 111.917 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.3 -34.9 78.35 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.076 0.465 . . . . 0.0 110.195 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -81.75 -31.08 32.12 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.018 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -86.71 -23.5 25.51 Favored 'General case' 0 CA--C 1.504 -0.807 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.84 0 N-CA-C 109.881 -0.415 . . . . 0.0 109.881 -179.178 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 19.9 m . . . . . 0 C--O 1.207 -1.154 0 N-CA-C 113.451 0.908 . . . . 0.0 113.451 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.33 -36.79 83.82 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 118.901 0.773 . . . . 0.0 111.808 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -74.17 -32.07 62.94 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -67.8 -47.39 69.22 Favored 'General case' 0 CA--C 1.493 -1.239 0 CA-C-N 114.754 -1.112 . . . . 0.0 109.894 176.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.4 OUTLIER -58.76 -46.99 86.22 Favored 'General case' 0 N--CA 1.425 -1.699 0 CA-C-N 114.357 -1.292 . . . . 0.0 108.492 -177.541 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.8 t -61.16 -34.42 75.0 Favored 'General case' 0 CA--C 1.565 1.551 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.715 177.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -70.15 -62.82 1.24 Allowed 'General case' 0 CA--C 1.483 -1.628 0 CA-C-O 121.82 0.819 . . . . 0.0 111.258 -178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.466 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.87 -27.87 65.19 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.306 -168.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -71.24 -44.34 65.51 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.859 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.432 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -61.79 -45.59 93.22 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 -178.163 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.88 -25.29 61.87 Favored 'General case' 0 N--CA 1.403 -2.825 0 CA-C-N 114.568 -1.197 . . . . 0.0 111.878 -178.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.45 -35.33 73.28 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.08 0.467 . . . . 0.0 110.079 176.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -83.58 -29.22 27.96 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.132 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -92.55 -5.14 52.29 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.418 0.895 . . . . 0.0 113.418 -178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.463 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 178.775 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.536 0.413 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -65.62 -28.7 69.31 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 121.079 -0.248 . . . . 0.0 111.659 -176.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -66.08 -43.06 88.47 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -67.52 -44.09 79.25 Favored 'General case' 0 CA--C 1.498 -1.044 0 CA-C-N 114.397 -1.274 . . . . 0.0 110.171 178.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 8.9 tp -61.45 -42.05 98.17 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.981 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 19.4 t -71.46 -32.79 68.7 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.835 176.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -64.17 -63.56 1.11 Allowed 'General case' 0 CA--C 1.481 -1.686 0 CA-C-O 121.859 0.838 . . . . 0.0 111.485 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.04 -30.23 70.24 Favored 'General case' 0 N--CA 1.406 -2.661 0 CA-C-N 114.881 -1.054 . . . . 0.0 110.619 -170.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.6 tm? -64.18 -45.28 89.08 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 123.803 0.689 . . . . 0.0 110.788 178.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.53 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -60.34 -47.53 85.65 Favored 'General case' 0 CA--C 1.503 -0.835 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 -175.035 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp-105 -72.92 -32.58 65.41 Favored 'General case' 0 N--CA 1.397 -3.079 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.767 -176.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.5 70.06 Favored 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.619 178.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.53 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -88.17 -31.36 19.16 Favored 'General case' 0 N--CA 1.45 -0.458 0 C-N-CA 120.475 -0.49 . . . . 0.0 109.977 178.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -80.09 -28.19 39.15 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 112.757 0.651 . . . . 0.0 112.757 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.862 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 -177.434 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.441 -0.913 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -57.52 -35.09 69.81 Favored 'General case' 0 N--CA 1.476 0.845 0 N-CA-C 113.726 1.009 . . . . 0.0 113.726 -174.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -76.3 -38.78 55.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.199 -0.6 . . . . 0.0 109.865 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -63.5 -44.56 93.95 Favored 'General case' 0 CA--C 1.485 -1.524 0 CA-C-N 115.102 -0.954 . . . . 0.0 109.938 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 12.6 tp -60.44 -44.01 96.24 Favored 'General case' 0 N--CA 1.419 -1.992 0 CA-C-N 113.562 -1.654 . . . . 0.0 109.509 -176.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 51.0 m -65.14 -37.4 87.29 Favored 'General case' 0 N--CA 1.41 -2.475 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.35 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -66.72 -62.2 1.57 Allowed 'General case' 0 CA--C 1.482 -1.643 0 CA-C-O 121.716 0.77 . . . . 0.0 111.295 -177.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.79 -32.82 74.36 Favored 'General case' 0 N--CA 1.411 -2.381 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.291 -170.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -68.0 -43.27 79.26 Favored 'General case' 0 CA--C 1.501 -0.924 0 C-N-CA 123.549 0.739 . . . . 0.0 110.97 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.411 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -61.22 -46.2 91.42 Favored 'General case' 0 N--CA 1.44 -0.956 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -175.593 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.0 ttp-105 -72.61 -28.71 62.94 Favored 'General case' 0 N--CA 1.402 -2.844 0 CA-C-N 114.997 -1.001 . . . . 0.0 111.185 -178.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.85 -23.79 66.06 Favored 'General case' 0 N--CA 1.465 0.282 0 C-N-CA 122.855 0.462 . . . . 0.0 111.035 178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.411 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -97.06 -28.79 13.98 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 121.038 0.447 . . . . 0.0 110.187 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -92.87 -1.32 56.85 Favored 'General case' 0 N--CA 1.484 1.262 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -177.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.916 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 178.189 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.408 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 40.7 m . . . . . 0 CA--C 1.534 0.349 0 N-CA-C 113.634 0.975 . . . . 0.0 113.634 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -64.4 -34.55 78.43 Favored 'General case' 0 C--O 1.242 0.697 0 N-CA-C 112.07 0.396 . . . . 0.0 112.07 -176.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -73.35 -40.97 64.01 Favored 'General case' 0 CA--C 1.504 -0.812 0 C-N-CA 120.042 -0.663 . . . . 0.0 110.831 -178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -63.21 -42.81 99.34 Favored 'General case' 0 CA--C 1.5 -0.945 0 CA-C-O 121.41 0.624 . . . . 0.0 110.075 176.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.416 HD12 ' NE2' ' A' ' 17' ' ' HIS . 9.3 tp -63.79 -39.2 93.68 Favored 'General case' 0 C--N 1.3 -1.583 0 CA-C-N 114.803 -1.089 . . . . 0.0 109.779 -176.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.8 t -68.12 -36.2 79.34 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.228 0.537 . . . . 0.0 109.978 176.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -65.92 -60.78 2.52 Favored 'General case' 0 CA--C 1.486 -1.516 0 C-N-CA 124.438 1.095 . . . . 0.0 110.84 -177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.416 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.48 -27.64 65.39 Favored 'General case' 0 N--CA 1.407 -2.619 0 C-N-CA 118.986 -1.085 . . . . 0.0 111.227 -171.291 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.402 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.8 tm? -65.57 -45.91 81.46 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 123.935 0.772 . . . . 0.0 110.392 178.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.466 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -58.89 -46.83 86.9 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-O 122.315 1.055 . . . . 0.0 108.176 -176.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 ttp-105 -73.09 -27.49 61.74 Favored 'General case' 1 N--CA 1.378 -4.028 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.317 -177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.8 -28.55 68.47 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.034 0.445 . . . . 0.0 110.307 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -87.69 -31.32 19.79 Favored 'General case' 0 N--CA 1.445 -0.686 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 177.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 -88.46 -12.1 44.03 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -178.611 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.767 0 CA-C-O 118.259 -0.877 . . . . 0.0 108.966 -179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.44 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 50.2 m . . . . . 0 C--O 1.211 -0.935 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pp0? -61.88 -33.13 73.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-N 118.441 0.564 . . . . 0.0 110.862 -179.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -70.43 -42.87 71.01 Favored 'General case' 0 CA--C 1.504 -0.818 0 CA-C-O 121.918 0.866 . . . . 0.0 109.063 -177.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.29 -44.7 82.76 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 114.423 -1.262 . . . . 0.0 109.822 178.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -59.21 -44.92 92.26 Favored 'General case' 0 N--CA 1.43 -1.437 0 CA-C-N 114.608 -1.178 . . . . 0.0 108.907 -178.347 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 27.0 t -63.15 -31.31 72.42 Favored 'General case' 0 C--N 1.307 -1.239 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.098 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -73.73 -62.59 1.44 Allowed 'General case' 0 CA--C 1.474 -1.947 0 CA-C-O 121.268 0.556 . . . . 0.0 111.517 -178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.503 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.29 -27.59 67.31 Favored 'General case' 0 C--O 1.181 -2.524 0 C-N-CA 119.479 -0.888 . . . . 0.0 111.341 -170.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.0 tm? -70.23 -48.19 58.08 Favored 'General case' 0 N--CA 1.435 -1.202 0 O-C-N 123.217 0.323 . . . . 0.0 110.178 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.471 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -59.68 -42.0 91.94 Favored 'General case' 0 C--N 1.353 0.732 0 N-CA-C 107.622 -1.251 . . . . 0.0 107.622 -177.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.3 ttp85 -71.86 -39.23 69.82 Favored 'General case' 0 N--CA 1.394 -3.246 0 CA-C-N 113.356 -1.747 . . . . 0.0 112.043 -175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.46 -30.24 71.0 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 123.069 0.548 . . . . 0.0 111.218 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -81.22 -32.23 33.54 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.622 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -83.28 -27.94 29.47 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 115.958 -0.564 . . . . 0.0 112.211 -179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.064 0 N-CA-C 108.722 -0.844 . . . . 0.0 108.722 -179.4 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 pp0? -66.7 -30.8 71.13 Favored 'General case' 0 N--CA 1.465 0.313 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.606 -178.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -64.92 -43.02 94.18 Favored 'General case' 0 CA--C 1.493 -1.24 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 -179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -67.93 -43.19 79.71 Favored 'General case' 0 N--CA 1.435 -1.209 0 CA-C-N 114.0 -1.455 . . . . 0.0 110.676 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -63.32 -45.46 91.21 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.014 -175.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 41.3 m -66.02 -32.71 74.35 Favored 'General case' 0 N--CA 1.421 -1.916 0 CA-C-O 121.499 0.666 . . . . 0.0 110.756 176.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 39.0 t70 -70.35 -61.89 1.6 Allowed 'General case' 0 CA--C 1.478 -1.813 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.183 -178.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -27.3 67.71 Favored 'General case' 0 N--CA 1.404 -2.734 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.198 -171.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.431 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -65.82 -46.92 76.8 Favored 'General case' 0 N--CA 1.435 -1.197 0 O-C-N 123.808 0.693 . . . . 0.0 110.612 178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.517 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 1.0 OUTLIER -58.36 -43.96 88.6 Favored 'General case' 0 CA--C 1.505 -0.767 0 CA-C-O 122.463 1.125 . . . . 0.0 108.056 -177.641 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.6 ttp180 -72.19 -32.09 66.49 Favored 'General case' 0 N--CA 1.393 -3.299 0 CA-C-N 114.0 -1.454 . . . . 0.0 111.557 -176.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.91 -25.35 65.45 Favored 'General case' 0 C--N 1.315 -0.934 0 C-N-CA 122.925 0.49 . . . . 0.0 110.883 179.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.517 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -87.56 -29.79 21.02 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 176.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -86.37 -19.56 29.56 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.625 0 CA-C-O 118.814 -0.612 . . . . 0.0 109.821 -178.433 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.419 ' O ' ' HB2' ' A' ' 14' ' ' LEU . 17.6 m . . . . . 0 CA--C 1.54 0.592 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -62.46 -32.34 73.2 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 118.616 0.644 . . . . 0.0 112.123 -176.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -69.01 -43.24 75.19 Favored 'General case' 0 CA--C 1.509 -0.615 0 CA-C-O 121.119 0.485 . . . . 0.0 110.959 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -68.25 -44.31 75.92 Favored 'General case' 0 CA--C 1.496 -1.099 0 CA-C-N 115.209 -0.905 . . . . 0.0 109.734 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -60.77 -42.55 97.71 Favored 'General case' 0 N--CA 1.425 -1.714 0 CA-C-N 114.554 -1.203 . . . . 0.0 109.353 -177.365 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 38.5 t -63.74 -34.77 78.62 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 120.59 0.233 . . . . 0.0 110.62 177.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -70.24 -62.78 1.25 Allowed 'General case' 0 CA--C 1.48 -1.723 0 CA-C-O 121.548 0.69 . . . . 0.0 111.434 -176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.453 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -69.09 -30.41 68.71 Favored 'General case' 0 N--CA 1.413 -2.277 0 C-N-CA 119.143 -1.023 . . . . 0.0 111.046 -170.111 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 HD13 ' C ' ' A' ' 18' ' ' LEU . 2.9 tm? -70.98 -43.4 68.11 Favored 'General case' 0 N--CA 1.441 -0.92 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.555 -177.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.484 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.63 -45.63 93.34 Favored 'General case' 0 N--CA 1.441 -0.887 0 N-CA-C 108.054 -1.091 . . . . 0.0 108.054 -177.02 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -72.64 -33.93 66.94 Favored 'General case' 0 N--CA 1.4 -2.968 0 CA-C-N 114.795 -1.093 . . . . 0.0 111.472 -176.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.23 -26.65 68.6 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.877 0.37 . . . . 0.0 111.023 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -88.67 -30.52 19.09 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.36 -0.536 . . . . 0.0 109.96 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -89.18 -14.88 35.06 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 -178.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.632 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 -179.938 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.8 m . . . . . 0 N--CA 1.436 -1.146 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -66.22 -31.22 71.91 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.236 -178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 20.7 m-20 -62.51 -43.27 99.21 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-O 121.945 0.879 . . . . 0.0 108.792 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -70.16 -45.98 65.62 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 113.705 -1.589 . . . . 0.0 110.371 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 15.7 tp -61.88 -50.38 72.43 Favored 'General case' 0 N--CA 1.419 -1.999 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.969 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.7 t -65.54 -32.96 74.84 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.317 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 1.3 t70 -68.07 -57.12 6.62 Favored 'General case' 0 CA--C 1.501 -0.925 0 CA-C-O 121.596 0.712 . . . . 0.0 110.382 -178.263 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.462 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.78 -27.8 64.18 Favored 'General case' 0 N--CA 1.422 -1.854 0 C-N-CA 119.142 -1.023 . . . . 0.0 111.334 -173.373 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -65.97 -46.19 78.98 Favored 'General case' 0 N--CA 1.447 -0.625 0 C-N-CA 123.734 0.814 . . . . 0.0 110.209 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.507 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.8 OUTLIER -60.71 -45.08 95.58 Favored 'General case' 0 C--O 1.239 0.534 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -177.401 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -72.25 -26.33 61.97 Favored 'General case' 0 N--CA 1.411 -2.416 0 CA-C-N 114.798 -1.092 . . . . 0.0 112.129 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.69 -34.32 69.56 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.083 0.468 . . . . 0.0 109.982 178.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -81.4 -30.3 33.67 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 -179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 -87.9 -20.26 26.22 Favored 'General case' 0 CA--C 1.508 -0.663 0 N-CA-C 113.072 0.768 . . . . 0.0 113.072 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.297 -1.678 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.641 -177.95 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.2 m . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -63.41 -34.83 78.6 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 120.034 -0.666 . . . . 0.0 111.928 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' ASP . 2.5 t70 -63.56 -43.66 96.41 Favored 'General case' 0 CA--C 1.494 -1.203 0 CA-C-O 120.897 0.38 . . . . 0.0 110.376 177.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 56.3 t80 -67.24 -47.99 69.11 Favored 'General case' 0 N--CA 1.433 -1.323 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.122 -176.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.417 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.32 -45.58 93.82 Favored 'General case' 0 C--N 1.31 -1.127 0 O-C-N 124.21 0.944 . . . . 0.0 109.73 -176.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.6 m -68.23 -37.12 80.49 Favored 'General case' 0 N--CA 1.413 -2.321 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.372 178.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' ASP . 3.8 t70 -67.71 -56.81 7.85 Favored 'General case' 0 CA--C 1.492 -1.271 0 CA-C-O 122.041 0.924 . . . . 0.0 110.286 -176.669 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.417 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -70.18 -27.87 64.87 Favored 'General case' 0 N--CA 1.411 -2.393 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.012 -171.34 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.9 tm? -69.7 -47.74 62.12 Favored 'General case' 0 N--CA 1.432 -1.333 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 178.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.511 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.4 OUTLIER -61.94 -43.49 98.74 Favored 'General case' 0 N--CA 1.442 -0.852 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 -177.734 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.511 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 6.1 tpp180 -70.35 -34.59 72.83 Favored 'General case' 0 N--CA 1.412 -2.342 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.959 -175.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.75 -32.37 73.63 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 122.871 0.468 . . . . 0.0 111.22 179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -82.02 -31.01 31.19 Favored 'General case' 0 C--N 1.318 -0.783 0 C-N-CA 120.53 -0.468 . . . . 0.0 110.279 -179.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -86.29 -27.06 24.6 Favored 'General case' 0 CA--C 1.506 -0.744 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.861 0 CA-C-O 118.649 -0.691 . . . . 0.0 109.424 -177.094 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m . . . . . 0 CA--C 1.547 0.859 0 N-CA-C 113.345 0.868 . . . . 0.0 113.345 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -72.91 -30.81 64.2 Favored 'General case' 0 C--O 1.234 0.255 0 C-N-CA 120.092 -0.643 . . . . 0.0 109.361 178.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -65.99 -41.91 90.48 Favored 'General case' 0 CA--C 1.489 -1.402 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 -178.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -62.79 -45.3 93.3 Favored 'General case' 0 CA--C 1.486 -1.49 0 CA-C-N 114.27 -1.332 . . . . 0.0 110.703 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 11.4 tp -62.82 -47.0 85.31 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.582 -174.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 24.0 m -68.48 -28.42 67.02 Favored 'General case' 0 N--CA 1.41 -2.44 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.226 176.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -74.93 -58.34 3.35 Favored 'General case' 0 CA--C 1.482 -1.65 0 CA-C-O 121.716 0.77 . . . . 0.0 110.637 -176.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -66.08 -31.11 71.8 Favored 'General case' 0 N--CA 1.409 -2.514 0 CA-C-N 114.715 -1.13 . . . . 0.0 110.684 -172.375 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -67.53 -47.44 69.89 Favored 'General case' 0 N--CA 1.433 -1.303 0 O-C-N 123.938 0.774 . . . . 0.0 110.027 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.569 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.18 -42.65 99.48 Favored 'General case' 0 N--CA 1.445 -0.701 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 -177.585 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.569 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 1.9 tpp180 -70.64 -36.38 73.39 Favored 'General case' 0 N--CA 1.414 -2.237 0 CA-C-N 114.875 -1.057 . . . . 0.0 110.358 -174.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.71 -30.8 69.53 Favored 'General case' 0 C--O 1.237 0.431 0 C-N-CA 123.298 0.639 . . . . 0.0 111.202 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 19' ' ' TRP . 1.1 pp -81.81 -31.27 31.83 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 120.065 -0.654 . . . . 0.0 109.391 179.028 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -87.22 -15.61 37.71 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 -178.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.074 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 178.861 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.421 -1.903 0 N-CA-C 111.553 0.205 . . . . 0.0 111.553 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -67.55 -28.84 68.14 Favored 'General case' 0 C--N 1.347 0.467 0 CA-C-O 121.252 0.548 . . . . 0.0 109.642 178.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -67.75 -42.83 81.17 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 115.166 -0.924 . . . . 0.0 109.321 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -68.43 -46.11 70.77 Favored 'General case' 0 CA--C 1.488 -1.438 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.393 178.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.25 -45.6 92.7 Favored 'General case' 0 N--CA 1.422 -1.851 0 CA-C-N 114.409 -1.269 . . . . 0.0 110.319 -174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 30.6 t -73.6 -25.29 60.26 Favored 'General case' 0 C--N 1.293 -1.88 0 C-N-CA 120.297 -0.561 . . . . 0.0 110.83 178.491 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.4 t0 -70.61 -60.8 2.05 Favored 'General case' 0 CA--C 1.486 -1.515 0 CA-C-O 121.864 0.84 . . . . 0.0 109.394 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.32 -33.72 73.57 Favored 'General case' 0 N--CA 1.404 -2.749 0 CA-C-N 114.612 -1.177 . . . . 0.0 111.068 -170.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' C ' HD13 ' A' ' 18' ' ' LEU . 2.7 tm? -66.87 -46.17 75.82 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 123.569 0.543 . . . . 0.0 110.165 -178.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.484 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.3 OUTLIER -60.51 -46.6 89.53 Favored 'General case' 0 N--CA 1.439 -0.993 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 -176.701 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.484 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.1 tpp180 -71.39 -33.61 69.65 Favored 'General case' 0 N--CA 1.416 -2.138 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.756 -176.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.87 -33.49 75.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 123.055 0.542 . . . . 0.0 110.902 -179.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.2 pp -85.32 -30.3 23.82 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.255 0.55 . . . . 0.0 110.037 179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -85.34 -15.17 44.16 Favored 'General case' 0 CA--C 1.508 -0.657 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 -177.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.619 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.279 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.438 -1.057 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 pp0? -65.96 -25.12 66.97 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-O 121.217 0.532 . . . . 0.0 110.384 -178.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -72.19 -43.45 64.49 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.595 -179.558 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 43.6 t80 -63.62 -42.49 98.19 Favored 'General case' 0 CA--C 1.489 -1.384 0 CA-C-N 114.999 -1.001 . . . . 0.0 109.213 176.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -57.16 -42.73 81.61 Favored 'General case' 0 N--CA 1.425 -1.683 0 CA-C-N 113.728 -1.578 . . . . 0.0 108.893 -178.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 55.5 m -64.97 -37.35 87.38 Favored 'General case' 0 N--CA 1.409 -2.481 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.545 176.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -68.22 -61.97 1.61 Allowed 'General case' 0 CA--C 1.468 -2.178 0 CA-C-O 121.625 0.726 . . . . 0.0 111.418 -178.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.418 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.28 -27.85 67.53 Favored 'General case' 0 N--CA 1.407 -2.587 0 CA-C-N 114.408 -1.269 . . . . 0.0 111.021 -168.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -69.64 -49.63 51.9 Favored 'General case' 0 N--CA 1.429 -1.517 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 178.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.414 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -60.08 -47.74 84.62 Favored 'General case' 0 N--CA 1.445 -0.683 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -178.248 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 ttp180 -71.81 -25.51 62.02 Favored 'General case' 0 N--CA 1.412 -2.359 0 CA-C-N 114.967 -1.015 . . . . 0.0 112.507 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.78 -34.8 62.51 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.031 0.443 . . . . 0.0 110.332 177.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -79.43 -30.28 42.23 Favored 'General case' 0 C--N 1.321 -0.654 0 C-N-CA 120.286 -0.565 . . . . 0.0 109.717 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -88.51 -14.12 38.56 Favored 'General case' 0 N--CA 1.469 0.502 0 N-CA-C 112.84 0.681 . . . . 0.0 112.84 -179.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.331 0 CA-C-O 117.808 -1.091 . . . . 0.0 110.027 179.577 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.0 p . . . . . 0 C--O 1.207 -1.163 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -55.88 -40.36 72.84 Favored 'General case' 0 N--CA 1.444 -0.761 0 C-N-CA 124.918 1.287 . . . . 0.0 112.867 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -74.23 -40.79 62.17 Favored 'General case' 0 CA--C 1.497 -1.064 0 CA-C-O 121.533 0.682 . . . . 0.0 110.193 -176.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -66.6 -45.98 77.43 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 114.299 -1.319 . . . . 0.0 110.751 -178.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.66 -47.49 85.13 Favored 'General case' 0 N--CA 1.416 -2.155 0 CA-C-N 114.365 -1.289 . . . . 0.0 109.744 -174.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 22.7 t -65.62 -37.17 85.83 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.209 178.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.65 -62.05 1.91 Allowed 'General case' 0 CA--C 1.488 -1.419 0 CA-C-O 121.685 0.755 . . . . 0.0 111.71 -177.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.2 -27.77 65.79 Favored 'General case' 0 N--CA 1.413 -2.285 0 C-N-CA 119.299 -0.96 . . . . 0.0 110.724 -171.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -65.88 -44.7 84.55 Favored 'General case' 0 N--CA 1.441 -0.906 0 C-N-CA 123.438 0.695 . . . . 0.0 110.268 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.444 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.5 OUTLIER -61.82 -44.91 95.91 Favored 'General case' 0 N--CA 1.44 -0.975 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 -176.346 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttp180 -71.65 -33.66 69.08 Favored 'General case' 0 N--CA 1.41 -2.456 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.013 -177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.76 -29.69 70.68 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.586 -0.279 . . . . 0.0 110.881 178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.3 pp -89.61 -30.11 18.38 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-O 120.988 0.423 . . . . 0.0 110.946 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.6 m-80 -87.44 -17.95 31.06 Favored 'General case' 0 CA--C 1.505 -0.765 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -179.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.289 -2.023 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.579 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.6 m . . . . . 0 CA--C 1.546 0.815 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -56.42 -39.89 73.82 Favored 'General case' 0 C--O 1.241 0.62 0 C-N-CA 124.577 1.151 . . . . 0.0 111.275 179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -70.51 -42.9 70.68 Favored 'General case' 0 CA--C 1.49 -1.358 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.399 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 79.3 t80 -65.53 -49.2 69.82 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-N 114.651 -1.159 . . . . 0.0 110.18 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.8 -44.69 93.83 Favored 'General case' 0 C--O 1.191 -1.98 0 CA-C-N 114.508 -1.224 . . . . 0.0 109.373 -174.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 33.6 t -69.29 -37.09 77.67 Favored 'General case' 0 C--N 1.3 -1.57 0 C-N-CA 120.266 -0.573 . . . . 0.0 110.968 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -63.63 -55.44 23.58 Favored 'General case' 0 CA--C 1.485 -1.553 0 CA-C-O 121.483 0.659 . . . . 0.0 110.606 -176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -73.08 -27.86 61.97 Favored 'General case' 0 N--CA 1.41 -2.456 0 C-N-CA 118.737 -1.185 . . . . 0.0 110.865 -173.177 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.37 -45.04 66.85 Favored 'General case' 0 CA--C 1.504 -0.803 0 C-N-CA 122.934 0.493 . . . . 0.0 110.703 -179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.479 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.9 OUTLIER -60.67 -41.92 96.03 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 107.618 -1.253 . . . . 0.0 107.618 -178.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.45 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 5.9 tpp180 -70.34 -39.06 74.94 Favored 'General case' 0 N--CA 1.41 -2.444 0 CA-C-N 114.579 -1.191 . . . . 0.0 109.254 -176.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.27 -26.43 68.39 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 123.642 0.777 . . . . 0.0 112.062 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.5 pp -90.08 -32.24 16.79 Favored 'General case' 0 N--CA 1.448 -0.553 0 C-N-CA 119.587 -0.845 . . . . 0.0 110.151 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 m-80 -82.81 -25.82 32.35 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.698 -178.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.295 -1.803 0 N-CA-C 108.682 -0.858 . . . . 0.0 108.682 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.8 m . . . . . 0 N--CA 1.436 -1.157 0 N-CA-C 114.897 1.443 . . . . 0.0 114.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -66.06 -36.24 82.69 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 119.577 -0.849 . . . . 0.0 110.602 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -67.32 -42.78 83.07 Favored 'General case' 0 CA--C 1.502 -0.882 0 CA-C-N 115.407 -0.815 . . . . 0.0 108.914 -179.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -66.9 -49.0 66.95 Favored 'General case' 0 CA--C 1.494 -1.211 0 CA-C-N 114.42 -1.263 . . . . 0.0 111.862 -178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 HD12 ' NE2' ' A' ' 17' ' ' HIS . 11.9 tp -62.87 -44.37 96.3 Favored 'General case' 0 C--N 1.305 -1.353 0 O-C-N 124.0 0.812 . . . . 0.0 109.914 -174.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 37.5 t -65.29 -32.39 74.03 Favored 'General case' 0 C--N 1.293 -1.857 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.7 177.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -72.94 -60.25 2.32 Favored 'General case' 0 CA--C 1.484 -1.587 0 CA-C-O 121.611 0.72 . . . . 0.0 111.167 -176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.494 ' NE2' HD12 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -67.85 -29.06 68.11 Favored 'General case' 0 N--CA 1.414 -2.24 0 C-N-CA 119.386 -0.926 . . . . 0.0 110.798 -171.245 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -66.04 -47.97 72.63 Favored 'General case' 0 N--CA 1.439 -1.022 0 C-N-CA 123.217 0.607 . . . . 0.0 110.209 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.529 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -57.73 -46.3 84.62 Favored 'General case' 0 N--CA 1.445 -0.717 0 CA-C-O 122.051 0.929 . . . . 0.0 108.595 -176.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -72.31 -37.46 68.94 Favored 'General case' 0 N--CA 1.403 -2.788 0 CA-C-N 114.88 -1.054 . . . . 0.0 111.977 -175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.1 70.67 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 122.998 0.519 . . . . 0.0 111.116 179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.78 -27.69 25.02 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.238 0.542 . . . . 0.0 110.17 178.592 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -85.55 -25.06 26.99 Favored 'General case' 0 CA--C 1.502 -0.877 0 N-CA-C 112.616 0.598 . . . . 0.0 112.616 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.294 -1.808 0 CA-C-O 118.603 -0.713 . . . . 0.0 109.336 -178.708 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 C--O 1.213 -0.838 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -56.04 -40.38 73.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 124.735 1.214 . . . . 0.0 111.222 178.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -70.01 -41.81 73.82 Favored 'General case' 0 CA--C 1.495 -1.148 0 CA-C-O 121.695 0.759 . . . . 0.0 109.221 -173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -66.1 -46.89 76.01 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-N 114.537 -1.21 . . . . 0.0 110.254 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.3 OUTLIER -60.5 -51.23 70.35 Favored 'General case' 0 N--CA 1.428 -1.571 0 CA-C-N 114.607 -1.179 . . . . 0.0 109.296 -174.742 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.467 ' O ' ' HB3' ' A' ' 19' ' ' TRP . 49.0 m -61.34 -29.62 70.01 Favored 'General case' 0 N--CA 1.414 -2.235 0 CA-C-O 120.566 0.222 . . . . 0.0 111.554 178.006 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -73.46 -60.37 2.28 Favored 'General case' 0 CA--C 1.499 -1.0 0 CA-C-O 121.768 0.794 . . . . 0.0 110.695 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.507 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.26 -34.29 72.62 Favored 'General case' 0 N--CA 1.416 -2.14 0 C-N-CA 119.218 -0.993 . . . . 0.0 111.419 -170.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.96 -42.92 69.1 Favored 'General case' 0 CA--C 1.497 -1.061 0 C-N-CA 123.449 0.7 . . . . 0.0 110.846 -177.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.467 ' HB3' ' O ' ' A' ' 15' ' ' SER . 1.0 OUTLIER -59.85 -44.8 93.92 Favored 'General case' 0 N--CA 1.442 -0.869 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -177.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttp180 -72.27 -27.78 62.7 Favored 'General case' 0 N--CA 1.407 -2.613 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.539 -177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.61 -32.69 71.57 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.482 179.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -85.76 -31.64 22.27 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.07 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -83.52 -24.88 31.49 Favored 'General case' 0 CA--C 1.5 -0.97 0 N-CA-C 112.162 0.43 . . . . 0.0 112.162 -178.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.292 -1.897 0 CA-C-O 117.923 -1.037 . . . . 0.0 108.968 179.257 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.2 m . . . . . 0 CA--C 1.536 0.428 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -63.23 -36.97 85.42 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.218 -0.593 . . . . 0.0 110.449 179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -71.83 -40.4 69.12 Favored 'General case' 0 CA--C 1.488 -1.442 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.01 -178.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -59.97 -48.7 80.64 Favored 'General case' 0 CA--C 1.485 -1.553 0 O-C-N 123.604 0.565 . . . . 0.0 110.632 178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' O ' ' HD2' ' A' ' 17' ' ' HIS . 12.4 tp -61.68 -44.46 96.9 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 124.375 1.047 . . . . 0.0 110.133 -175.451 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 23.3 t -68.62 -37.39 79.71 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.481 177.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -66.75 -57.87 6.22 Favored 'General case' 0 CA--C 1.478 -1.824 0 C-N-CA 124.024 0.93 . . . . 0.0 111.05 -176.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.402 ' HD2' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -68.9 -27.83 66.13 Favored 'General case' 0 N--CA 1.407 -2.581 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.269 -171.495 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.441 HD13 ' C ' ' A' ' 18' ' ' LEU . 3.1 tm? -64.43 -48.22 76.17 Favored 'General case' 0 N--CA 1.432 -1.362 0 O-C-N 123.52 0.513 . . . . 0.0 109.63 177.765 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.439 ' CZ2' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -62.01 -43.67 98.36 Favored 'General case' 0 CA--C 1.509 -0.616 0 N-CA-C 107.853 -1.165 . . . . 0.0 107.853 -177.765 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HD3' ' CZ2' ' A' ' 19' ' ' TRP . 4.4 tpp180 -70.67 -30.66 67.32 Favored 'General case' 0 N--CA 1.417 -2.087 0 CA-C-N 114.757 -1.11 . . . . 0.0 110.99 -174.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -71.42 -38.22 71.43 Favored 'General case' 0 C--N 1.312 -1.043 0 C-N-CA 123.218 0.607 . . . . 0.0 110.654 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.4 pp -73.77 -26.99 60.92 Favored 'General case' 0 CA--C 1.535 0.367 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 32.9 m-80 -93.12 -1.37 56.48 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.571 -0.741 . . . . 0.0 112.959 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 -178.231 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 N--CA 1.437 -1.103 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -66.82 -25.86 66.65 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -176.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -69.35 -43.36 73.78 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 107.558 -1.275 . . . . 0.0 107.558 -179.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.7 t80 -69.35 -43.7 73.09 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 112.917 -1.947 . . . . 0.0 110.934 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.44 ' HA ' ' CD2' ' A' ' 17' ' ' HIS . 0.2 OUTLIER -61.76 -50.56 71.9 Favored 'General case' 0 C--O 1.198 -1.609 0 CA-C-N 115.01 -0.995 . . . . 0.0 109.669 -176.101 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 34.3 m -61.95 -31.91 72.28 Favored 'General case' 0 N--CA 1.421 -1.891 0 CA-C-O 120.678 0.275 . . . . 0.0 111.501 178.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -69.3 -61.67 1.69 Allowed 'General case' 0 CA--C 1.501 -0.926 0 CA-C-O 121.643 0.735 . . . . 0.0 110.268 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.44 ' CD2' ' HA ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -70.69 -29.06 65.25 Favored 'General case' 0 N--CA 1.414 -2.238 0 C-N-CA 118.931 -1.107 . . . . 0.0 111.571 -171.604 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -67.93 -43.34 79.37 Favored 'General case' 0 CA--C 1.502 -0.877 0 C-N-CA 123.143 0.577 . . . . 0.0 110.022 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.478 ' O ' ' HG ' ' A' ' 22' ' ' LEU . 0.7 OUTLIER -60.55 -45.24 94.63 Favored 'General case' 0 N--CA 1.44 -0.958 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 -177.121 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.5 ttp180 -72.13 -37.04 69.55 Favored 'General case' 0 N--CA 1.407 -2.593 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.488 -177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.7 -28.23 67.13 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 123.054 0.542 . . . . 0.0 111.215 177.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 19' ' ' TRP . 1.1 pp -92.45 -30.25 15.83 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 120.664 0.268 . . . . 0.0 111.07 178.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 39.3 m-80 -89.03 -16.14 32.37 Favored 'General case' 0 CA--C 1.502 -0.891 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -177.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.851 0 CA-C-O 118.167 -0.921 . . . . 0.0 110.366 -179.101 . . . . . . . . 0 0 . 1 stop_ save_