data_2jo5_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 2jo5 _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -49.29 -37.13 22.87 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 119.779 1.172 . . . . 0.0 113.521 159.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.05 -2.89 36.36 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.449 2.7 . . . . 0.0 116.397 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.24 70.26 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -163.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -48.77 63.59 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 120.46 1.482 . . . . 0.0 112.559 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.63 76.52 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 127.082 2.153 . . . . 0.0 113.894 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.88 -49.19 14.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.037 1.399 . . . . 0.0 112.676 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 12' ' ' ILE . 4.6 mm -75.54 -34.11 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 111.084 -166.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -71.04 -21.42 62.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.816 0.847 . . . . 0.0 112.576 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 -61.82 1.64 Allowed 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 161.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 9' ' ' ILE 0.252 15.9 tt -63.67 -43.79 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 O-C-N 119.918 -1.739 . . . . 0.0 112.894 -167.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.24 68.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.356 1.889 . . . . 0.0 114.012 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.69 -37.73 49.02 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -68.98 -36.93 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.242 1.417 . . . . 0.0 111.19 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.443 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 mt -53.65 -48.98 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 128.736 2.814 . . . . 0.0 114.408 168.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -60.89 -28.76 69.13 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.7 1.2 . . . . 0.0 111.583 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.62 -46.42 13.31 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-N 119.663 1.12 . . . . 0.0 112.68 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.39 78.6 Favored Glycine 0 C--O 1.198 -2.096 0 C-N-CA 125.558 1.551 . . . . 0.0 115.097 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.87 6.08 Favored Glycine 0 C--O 1.2 -2.01 0 CA-C-O 122.393 0.996 . . . . 0.0 114.178 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 72.8 m-85 . . . . . 0 C--O 1.2 -1.533 0 C-N-CA 127.385 2.274 . . . . 0.0 115.487 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.791 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -47.78 -35.53 10.16 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 119.841 -1.787 . . . . 0.0 114.125 163.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.97 -1.24 38.66 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 128.295 2.638 . . . . 0.0 115.02 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.82 6.08 33.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -165.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.22 -55.34 3.57 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.868 1.213 . . . . 0.0 111.134 152.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.08 72.46 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 126.54 1.936 . . . . 0.0 113.954 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.45 66.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.071 -1.643 . . . . 0.0 113.049 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mm -80.94 -37.47 16.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 109.2 -171.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -56.03 -38.81 71.06 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.558 1.143 . . . . 0.0 110.255 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.35 3.36 11.17 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.8 tt -122.19 -45.08 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 126.101 1.76 . . . . 0.0 112.642 163.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.54 68.3 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 122.23 2.286 . . . . 0.0 114.322 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.94 -21.65 54.49 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 124.44 1.096 . . . . 0.0 113.514 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.32 -37.46 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 125.29 1.436 . . . . 0.0 110.531 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.415 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 37.6 mt -49.03 -47.42 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 127.254 2.222 . . . . 0.0 111.941 164.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -52.0 -38.29 56.24 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.796 1.639 . . . . 0.0 113.664 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.62 -47.11 15.99 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 124.643 1.177 . . . . 0.0 112.901 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -49.23 49.34 Favored Glycine 0 C--O 1.204 -1.774 0 C-N-CA 126.133 1.825 . . . . 0.0 114.954 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.06 43.96 6.9 Favored Glycine 0 C--O 1.216 -1.018 0 CA-C-N 119.082 1.441 . . . . 0.0 112.948 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.415 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 24.3 m-85 . . . . . 0 C--O 1.2 -1.547 0 C-N-CA 127.415 2.286 . . . . 0.0 112.859 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.13 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -51.73 -30.97 24.53 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 126.625 1.97 . . . . 0.0 113.663 165.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 -10.15 58.67 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.669 1.988 . . . . 0.0 115.629 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.62 58.85 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.86 -55.83 30.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.119 0.968 . . . . 0.0 110.7 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.76 -19.76 65.98 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.85 4.25 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 123.11 1.433 . . . . 0.0 109.87 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 mt -84.89 -18.19 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.675 -1.891 . . . . 0.0 112.607 -164.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -70.45 -19.1 62.99 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 119.28 0.946 . . . . 0.0 113.178 171.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.3 2.4 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.869 1.268 . . . . 0.0 111.197 153.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -65.69 -36.81 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 120.523 -1.361 . . . . 0.0 114.547 -162.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -30.59 71.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 119.633 1.106 . . . . 0.0 113.647 173.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.5 41.55 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.449 2.299 . . . . 0.0 111.927 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . 0.971 HD11 ' CG1' ' C' ' 59' ' ' ILE . 61.6 mt -73.94 -35.68 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 128.733 2.813 . . . . 0.0 109.154 171.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.447 HG12 ' CD1' ' C' ' 65' ' ' PHE . 52.7 mt -60.99 -45.06 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 O-C-N 119.521 -1.987 . . . . 0.0 114.184 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.06 -23.43 67.44 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.495 -1.24 . . . . 0.0 113.912 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.19 -41.4 18.48 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 126.683 1.993 . . . . 0.0 113.306 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.81 -61.34 4.72 Favored Glycine 0 C--O 1.192 -2.476 0 C-N-CA 124.834 1.207 . . . . 0.0 114.697 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.02 37.04 6.91 Favored Glycine 0 C--O 1.208 -1.494 0 C-N-CA 126.859 2.171 . . . . 0.0 114.333 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.447 ' CD1' HG12 ' C' ' 60' ' ' ILE . 72.3 m-85 . . . . . 0 C--O 1.196 -1.731 0 C-N-CA 128.382 2.673 . . . . 0.0 115.336 -170.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -45.25 -35.02 3.12 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 125.8 1.64 . . . . 0.0 114.168 159.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.41 57.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.593 2.357 . . . . 0.0 114.006 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.82 74.28 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.228 -1.545 . . . . 0.0 114.368 -167.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -21.98 66.37 Favored 'General case' 0 C--O 1.174 -2.89 0 O-C-N 120.946 -1.097 . . . . 0.0 113.068 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.43 -32.55 32.61 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 127.139 2.176 . . . . 0.0 113.237 172.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.23 -54.85 4.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 120.701 1.591 . . . . 0.0 110.856 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 mm -69.89 -42.99 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.008 -165.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -75.04 -23.79 58.17 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.401 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.03 -59.8 2.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 124.172 0.92 . . . . 0.0 110.937 158.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -38.21 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 O-C-N 120.512 -1.368 . . . . 0.0 113.557 -164.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.82 64.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.756 1.616 . . . . 0.0 114.145 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.82 -36.89 41.88 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.66 -41.66 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.246 1.418 . . . . 0.0 110.109 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -54.08 -48.47 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 O-C-N 119.42 -2.05 . . . . 0.0 115.187 167.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.65 -33.24 54.53 Favored 'General case' 0 C--O 1.206 -1.184 0 C-N-CA 125.168 1.387 . . . . 0.0 112.45 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.02 -37.34 19.04 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.935 1.694 . . . . 0.0 113.943 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.37 -66.85 1.82 Allowed Glycine 0 C--O 1.209 -1.44 0 C-N-CA 125.028 1.299 . . . . 0.0 114.246 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.77 53.45 1.8 Allowed Glycine 0 C--O 1.186 -2.905 0 C-N-CA 125.002 1.287 . . . . 0.0 112.762 -168.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 . . . . . 0 C--O 1.182 -2.476 0 C-N-CA 127.822 2.449 . . . . 0.0 114.588 -164.185 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.851 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.258 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -53.13 -30.63 37.93 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 121.359 1.89 . . . . 0.0 113.229 157.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.24 3.43 43.14 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 127.344 2.257 . . . . 0.0 116.269 174.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.34 -55.17 26.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -160.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.38 69.16 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.26 74.59 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.105 -0.997 . . . . 0.0 113.078 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.69 -83.17 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 118.928 0.785 . . . . 0.0 112.466 164.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -23.16 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 120.569 -1.332 . . . . 0.0 112.058 -154.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -97.27 -29.61 13.45 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 118.097 0.408 . . . . 0.0 111.017 -168.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.82 -53.5 57.1 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 157.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.251 1.6 mp -60.17 -36.29 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.37 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.51 76.0 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.4 63.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 112.96 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.48 -41.49 83.22 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 C-N-CA 125.152 1.381 . . . . 0.0 109.108 173.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 65.9 mt -56.17 -49.03 78.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 128.86 2.864 . . . . 0.0 114.829 169.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -53.56 -33.31 54.28 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.278 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.44 24.86 Favored 'General case' 0 C--O 1.185 -2.323 0 O-C-N 119.735 -1.853 . . . . 0.0 114.468 169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.8 -15.19 55.24 Favored Glycine 0 C--O 1.199 -2.061 0 N-CA-C 118.251 2.06 . . . . 0.0 118.251 -166.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.47 44.22 90.68 Favored Glycine 1 C--O 1.162 -4.347 0 CA-C-N 120.056 1.928 . . . . 0.0 113.979 169.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 66.8 m-85 . . . . . 0 C--N 1.291 -1.954 0 C-N-CA 127.584 2.354 . . . . 0.0 116.502 -173.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.0 -27.55 68.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 O-C-N 119.738 -1.851 . . . . 0.0 110.66 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.35 -6.83 48.65 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 128.212 2.605 . . . . 0.0 114.672 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.84 21.07 2.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 -166.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.16 -47.79 3.36 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.208 1.003 . . . . 0.0 111.594 148.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.97 78.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.389 2.275 . . . . 0.0 113.25 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.75 78.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.295 1.045 . . . . 0.0 110.703 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.78 -43.11 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 C-N-CA 123.72 0.808 . . . . 0.0 109.902 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.97 -21.71 60.81 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.565 1.146 . . . . 0.0 112.846 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.79 -66.83 0.5 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.166 0.986 . . . . 0.0 112.382 157.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.73 -48.44 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.004 -167.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.97 11.72 1.03 Allowed 'General case' 0 C--O 1.191 -2.004 0 CA-C-N 120.554 1.525 . . . . 0.0 114.845 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.26 -41.56 5.51 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.951 2.1 . . . . 0.0 113.822 157.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.61 -39.61 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 127.374 2.269 . . . . 0.0 112.014 173.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' B' ' 43' ' ' PHE . 4.0 mm -44.4 -60.93 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 C-N-CA 131.09 3.756 . . . . 0.0 111.374 167.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.08 -37.67 84.38 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 128.931 2.892 . . . . 0.0 111.521 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.91 -37.91 61.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.559 2.344 . . . . 0.0 112.803 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -58.74 11.49 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 124.563 1.078 . . . . 0.0 112.712 168.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.9 17.11 9.9 Favored Glycine 0 C--O 1.196 -2.263 0 C-N-CA 126.429 1.966 . . . . 0.0 114.344 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' B' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.322 0 C-N-CA 126.561 1.945 . . . . 0.0 114.005 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -56.57 -35.33 68.06 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 119.927 -1.733 . . . . 0.0 113.896 157.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.23 19.04 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 128.464 2.705 . . . . 0.0 115.478 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.97 51.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 120.722 -1.236 . . . . 0.0 114.185 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -12.19 22.26 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 120.616 1.553 . . . . 0.0 113.992 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.95 -45.68 10.03 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.3 -2.125 . . . . 0.0 115.487 162.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.17 66.44 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.109 -1.619 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.36 -42.24 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.007 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.68 -36.13 80.12 Favored 'General case' 0 C--O 1.194 -1.837 0 C-N-CA 124.685 1.194 . . . . 0.0 113.443 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.96 -7.46 53.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.253 0.3 OUTLIER -108.6 -60.58 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.89 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -8.76 57.18 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 122.799 2.545 . . . . 0.0 115.502 -164.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.66 -28.74 19.27 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 123.804 0.842 . . . . 0.0 113.233 164.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.61 -40.55 28.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 128.761 2.824 . . . . 0.0 110.989 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.48 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 29.2 mm -33.44 -57.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 128.74 2.816 . . . . 0.0 112.241 164.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -71.79 -40.3 69.32 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 127.992 2.517 . . . . 0.0 112.587 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.44 78.7 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 125.646 1.579 . . . . 0.0 112.078 172.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.49 -54.01 8.07 Favored Glycine 0 C--O 1.215 -1.068 0 O-C-N 124.167 0.917 . . . . 0.0 112.655 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.29 30.35 5.99 Favored Glycine 0 C--O 1.189 -2.667 0 C-N-CA 127.459 2.457 . . . . 0.0 112.845 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' C' ' 60' ' ' ILE 0.299 0.1 OUTLIER . . . . . 0 C--N 1.308 -1.206 0 CA-C-N 120.649 2.224 . . . . 0.0 115.591 -173.257 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.909 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -55.05 -26.29 36.51 Favored 'General case' 0 C--O 1.212 -0.918 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 166.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.54 52.82 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 128.371 2.669 . . . . 0.0 114.788 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.9 81.67 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -163.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.34 71.19 Favored 'General case' 1 C--O 1.117 -5.903 0 O-C-N 119.922 -1.736 . . . . 0.0 112.782 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.5 -38.42 71.17 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 117.843 -3.036 . . . . 0.0 113.656 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.88 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.48 1.512 . . . . 0.0 110.046 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 mm -72.28 -37.66 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.244 1.818 . . . . 0.0 110.644 -173.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -73.8 -21.35 60.18 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.81 0.78 Allowed 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 119.205 0.911 . . . . 0.0 110.496 155.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -42.19 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 120.471 -1.393 . . . . 0.0 112.959 -165.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.87 73.21 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.82 -29.92 29.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.968 1.366 . . . . 0.0 111.965 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.94 -39.07 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 119.474 -2.016 . . . . 0.0 108.649 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.408 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 23.6 mt -51.8 -52.68 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 125.561 1.544 . . . . 0.0 112.454 165.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.63 -26.98 57.42 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -49.31 9.71 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.999 1.72 . . . . 0.0 112.712 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.76 92.71 Favored Glycine 0 C--O 1.203 -1.783 0 C-N-CA 126.23 1.872 . . . . 0.0 114.83 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.47 40.03 10.35 Favored Glycine 0 C--O 1.19 -2.655 0 C-N-CA 126.434 1.968 . . . . 0.0 112.138 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 75.4 m-85 . . . . . 0 C--O 1.203 -1.344 0 C-N-CA 126.9 2.08 . . . . 0.0 114.468 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -63.52 -28.78 70.18 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.866 1.666 . . . . 0.0 111.884 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -11.67 61.05 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.125 2.97 . . . . 0.0 114.916 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 12.44 10.68 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -166.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.07 -54.35 3.76 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 119.512 -1.992 . . . . 0.0 110.622 146.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.8 67.79 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.758 1.623 . . . . 0.0 114.298 -173.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.24 61.02 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.24 1.019 . . . . 0.0 110.364 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.987 HD13 ' CG1' ' A' ' 9' ' ' ILE . 14.4 mm -66.51 -43.54 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.542 1.537 . . . . 0.0 111.709 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -67.49 -27.41 66.98 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 124.823 1.249 . . . . 0.0 114.282 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.4 -64.71 0.81 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 118.453 0.57 . . . . 0.0 111.176 157.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -43.18 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-O 116.224 -1.846 . . . . 0.0 112.745 -163.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.94 73.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 122.706 2.503 . . . . 0.0 113.952 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.63 58.39 Favored 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 124.263 1.025 . . . . 0.0 113.22 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -66.75 -44.1 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 126.194 1.798 . . . . 0.0 111.329 170.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.422 HG12 ' CD1' ' A' ' 21' ' ' PHE . 46.2 mt -55.55 -41.31 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.618 2.367 . . . . 0.0 113.715 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -60.82 -27.84 68.35 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 124.914 1.286 . . . . 0.0 112.928 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.71 -41.78 14.83 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 124.17 0.988 . . . . 0.0 111.956 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.46 -48.5 36.58 Favored Glycine 0 N--CA 1.436 -1.352 0 O-C-N 120.549 -1.345 . . . . 0.0 116.452 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 28.91 47.83 Favored Glycine 0 C--O 1.197 -2.171 0 C-N-CA 126.834 2.159 . . . . 0.0 117.387 -171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CD1' HG12 ' A' ' 16' ' ' ILE . 74.2 m-85 . . . . . 0 C--O 1.182 -2.485 0 C-N-CA 128.54 2.736 . . . . 0.0 114.835 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.368 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -126.34 -9.56 6.36 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 126.975 2.11 . . . . 0.0 113.855 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 -1.55 16.4 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.343 1.457 . . . . 0.0 114.211 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.43 ' O ' HG12 ' B' ' 31' ' ' ILE . . . -57.08 -55.49 34.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.903 -1.123 . . . . 0.0 112.412 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.29 63.6 Favored 'General case' 0 C--O 1.164 -3.402 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.43 78.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 -47.88 16.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.698 1.599 . . . . 0.0 112.588 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 27' ' ' ALA . 13.6 mm -59.99 -50.04 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 O-C-N 121.743 -0.598 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.94 -29.16 68.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 124.729 1.212 . . . . 0.0 113.262 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.81 -2.04 57.84 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 113.654 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -56.92 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-O 115.136 -2.364 . . . . 0.0 111.675 172.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.68 91.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 123.617 2.917 . . . . 0.0 113.033 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.93 64.51 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.4 -41.94 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.341 1.856 . . . . 0.0 111.977 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -56.51 -43.96 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 125.8 1.64 . . . . 0.0 112.419 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -55.48 -26.58 43.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.205 1.402 . . . . 0.0 114.519 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -35.62 11.03 Favored 'General case' 1 C--O 1.145 -4.404 0 C-N-CA 125.235 1.414 . . . . 0.0 114.419 167.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.92 -13.81 58.68 Favored Glycine 0 C--N 1.294 -1.795 0 O-C-N 118.28 -2.763 . . . . 0.0 117.367 -166.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.9 52.9 47.14 Favored Glycine 0 C--O 1.178 -3.366 0 CA-C-N 121.219 2.509 . . . . 0.0 114.754 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 C--O 1.198 -1.638 0 C-N-CA 127.134 2.174 . . . . 0.0 112.911 -162.351 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -45.04 -38.35 4.82 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-N 120.669 1.577 . . . . 0.0 113.417 157.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.36 -5.1 51.23 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 128.562 2.745 . . . . 0.0 114.633 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -48.88 73.83 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.001 -1.687 . . . . 0.0 115.343 -167.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.89 70.79 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 120.943 1.701 . . . . 0.0 112.194 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.18 76.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.548 1.539 . . . . 0.0 114.773 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.6 17.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.348 1.547 . . . . 0.0 112.55 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.92 -33.78 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.361 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -67.14 -24.83 65.95 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 118.061 -0.971 . . . . 0.0 113.018 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.83 -64.49 0.88 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 118.386 0.539 . . . . 0.0 111.48 159.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -37.87 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -167.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.82 61.69 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.2 34.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.9 1.68 . . . . 0.0 112.58 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.45 -40.38 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 125.692 1.597 . . . . 0.0 108.758 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.511 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 32.9 mt -51.15 -50.38 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.124 1.77 . . . . 0.0 114.672 167.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -61.78 -25.95 67.78 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.72 -49.51 10.36 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.662 1.185 . . . . 0.0 113.125 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.31 -38.62 93.84 Favored Glycine 0 C--O 1.208 -1.469 0 O-C-N 120.653 -1.279 . . . . 0.0 115.565 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.67 42.16 9.28 Favored Glycine 0 C--O 1.188 -2.732 0 C-N-CA 124.901 1.238 . . . . 0.0 113.742 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.511 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 63.4 m-85 . . . . . 0 C--O 1.2 -1.527 0 C-N-CA 126.915 2.086 . . . . 0.0 112.154 -166.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.891 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.62 -28.25 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.14 -2.225 . . . . 0.0 114.196 162.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.53 -5.01 53.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 127.881 2.472 . . . . 0.0 115.597 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.92 61.32 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -159.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.57 87.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 120.338 1.426 . . . . 0.0 111.991 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.06 89.7 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.39 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.04 85.85 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.478 1.49 . . . . 0.0 112.672 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.95 -17.0 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.922 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.46 -19.62 62.95 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 118.451 0.569 . . . . 0.0 111.654 168.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.15 -68.55 0.38 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.091 0.956 . . . . 0.0 111.266 153.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -39.79 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 120.61 -1.306 . . . . 0.0 113.059 -160.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.59 67.41 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.92 -33.59 33.99 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 121.12 -0.987 . . . . 0.0 112.121 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.13 -43.18 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 126.016 1.726 . . . . 0.0 108.823 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.472 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 54.2 mt -49.69 -48.34 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 C-N-CA 126.631 1.972 . . . . 0.0 115.846 168.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.43 -30.45 68.49 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.545 1.138 . . . . 0.0 113.793 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.67 -50.78 10.12 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 124.654 1.182 . . . . 0.0 111.123 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.9 -35.74 80.07 Favored Glycine 0 C--O 1.21 -1.398 0 CA-C-N 120.32 1.418 . . . . 0.0 116.191 -173.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.58 23.03 29.65 Favored Glycine 0 C--O 1.202 -1.859 0 C-N-CA 125.379 1.466 . . . . 0.0 115.261 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.7 m-85 . . . . . 0 C--O 1.208 -1.127 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.81 -18.18 60.99 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 125.335 1.454 . . . . 0.0 114.864 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.61 31.75 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 126.536 1.934 . . . . 0.0 113.447 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.44 70.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.78 77.46 Favored 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.41 69.21 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.85 -55.21 4.54 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.51 1.959 . . . . 0.0 112.863 170.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.81 -40.54 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 123.991 0.916 . . . . 0.0 109.922 -164.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.9 -22.35 62.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.96 -69.74 0.3 Allowed 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 157.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -36.55 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 O-C-N 121.373 -0.83 . . . . 0.0 113.095 -161.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.27 63.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.464 1.484 . . . . 0.0 114.29 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -33.06 22.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.516 1.126 . . . . 0.0 111.832 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.32 -42.34 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 126.167 1.787 . . . . 0.0 109.144 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 16.7 mt -55.61 -47.18 79.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 CA-C-N 121.076 1.762 . . . . 0.0 113.396 169.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -58.94 -28.62 66.44 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.09 11.02 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 126.206 1.802 . . . . 0.0 112.669 171.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.4 90.25 Favored Glycine 0 C--O 1.205 -1.675 0 CA-C-N 120.338 1.426 . . . . 0.0 114.857 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 29.63 11.74 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 124.547 1.07 . . . . 0.0 114.466 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 32.7 m-85 . . . . . 0 C--O 1.171 -3.041 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.019 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -45.54 -32.8 2.42 Favored 'General case' 0 N--CA 1.438 -1.072 0 O-C-N 120.278 -1.514 . . . . 0.0 114.645 159.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.49 51.37 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.074 2.949 . . . . 0.0 114.705 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -60.87 3.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -166.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.41 54.22 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 118.983 0.81 . . . . 0.0 111.78 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.75 84.19 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.66 -46.02 33.81 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.86 -1.15 . . . . 0.0 112.605 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.27 -37.47 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.663 -172.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.24 -40.46 90.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 121.832 -0.543 . . . . 0.0 112.02 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -2.72 9.64 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 20.8 tt -117.86 -50.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 120.466 -1.396 . . . . 0.0 112.295 165.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.96 69.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 121.977 2.171 . . . . 0.0 114.61 -169.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.4 -21.95 38.62 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-O 122.442 1.115 . . . . 0.0 113.718 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.29 -39.55 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 126.826 2.05 . . . . 0.0 108.87 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 28.1 mt -53.37 -48.67 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 126.23 1.812 . . . . 0.0 112.031 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -51.95 -28.77 17.76 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.373 1.869 . . . . 0.0 114.623 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.52 -48.36 7.99 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 124.292 1.037 . . . . 0.0 113.583 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.94 97.57 Favored Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 126.399 1.952 . . . . 0.0 114.891 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.98 52.98 16.42 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-N 121.251 2.526 . . . . 0.0 112.802 -174.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 . . . . . 0 C--O 1.178 -2.692 0 C-N-CA 127.608 2.363 . . . . 0.0 113.283 -173.538 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.951 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -46.78 -35.78 6.58 Favored 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.502 157.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.75 -4.55 59.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.191 2.197 . . . . 0.0 114.313 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.95 59.49 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.68 -36.58 72.13 Favored 'General case' 1 C--O 1.149 -4.194 0 CA-C-N 120.683 1.583 . . . . 0.0 112.41 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.69 75.39 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 118.904 -2.373 . . . . 0.0 115.398 170.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.09 64.63 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.577 1.655 . . . . 0.0 112.099 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mm -80.14 -36.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 113.032 -1.894 . . . . 0.0 110.316 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -65.91 -23.71 66.69 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.79 -67.74 0.4 Allowed 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 119.545 1.066 . . . . 0.0 110.846 156.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . 1.429 HD11 ' CG1' ' C' ' 56' ' ' ILE . 0.0 OUTLIER -64.66 -40.79 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-O 117.859 -1.067 . . . . 0.0 112.752 -163.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.76 65.65 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 121.867 2.122 . . . . 0.0 114.466 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.4 32.67 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.798 1.639 . . . . 0.0 111.728 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.56 -40.69 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 126.298 1.839 . . . . 0.0 109.016 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.405 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 41.1 mt -54.91 -51.18 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 127.004 2.122 . . . . 0.0 113.836 168.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.36 -26.87 54.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.402 1.481 . . . . 0.0 112.585 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.57 13.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.657 1.583 . . . . 0.0 113.807 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.01 -52.02 9.55 Favored Glycine 0 C--O 1.204 -1.738 0 O-C-N 120.474 -1.391 . . . . 0.0 115.374 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 38.99 6.2 Favored Glycine 0 C--O 1.177 -3.409 0 C-N-CA 124.285 0.945 . . . . 0.0 113.884 -173.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 71.8 m-85 . . . . . 0 C--O 1.186 -2.267 0 C-N-CA 128.952 2.901 . . . . 0.0 115.841 -174.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -47.51 -39.06 15.2 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 124.86 1.264 . . . . 0.0 113.608 160.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.96 -0.72 28.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 129.569 3.148 . . . . 0.0 115.472 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.32 7.1 20.47 Favored 'General case' 0 C--O 1.202 -1.443 0 O-C-N 118.401 -2.687 . . . . 0.0 114.886 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.51 -58.04 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 121.351 1.887 . . . . 0.0 109.956 149.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.71 70.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.988 1.315 . . . . 0.0 114.03 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.84 -42.27 58.29 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 120.409 -1.432 . . . . 0.0 112.218 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 14.9 mm -70.26 -42.49 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 124.761 1.224 . . . . 0.0 110.674 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.47 -23.59 61.07 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.742 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.56 -68.4 0.36 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 119.643 1.111 . . . . 0.0 109.922 156.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -39.27 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 O-C-N 120.021 -1.674 . . . . 0.0 112.842 -158.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.41 73.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 120.155 1.343 . . . . 0.0 113.599 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.839 2.055 . . . . 0.0 113.019 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.57 -43.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 125.655 1.582 . . . . 0.0 110.124 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 37.8 mt -55.69 -47.41 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.99 -29.01 4.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.441 1.496 . . . . 0.0 114.169 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -44.11 9.68 Favored 'General case' 0 C--O 1.201 -1.456 0 C-N-CA 126.675 1.99 . . . . 0.0 113.603 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -40.39 82.14 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 125.319 1.438 . . . . 0.0 114.988 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.25 24.41 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 119.852 1.826 . . . . 0.0 115.25 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 . . . . . 0 C--O 1.2 -1.522 0 C-N-CA 126.536 1.934 . . . . 0.0 115.177 -173.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.33 -25.84 66.1 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.568 -1.958 . . . . 0.0 112.953 168.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.99 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 114.259 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.74 34.05 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -154.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.96 66.9 Favored 'General case' 1 C--O 1.133 -5.058 0 O-C-N 121.172 -0.955 . . . . 0.0 112.861 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.58 -37.51 31.14 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 122.641 2.473 . . . . 0.0 113.299 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.9 -41.85 28.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.383 1.563 . . . . 0.0 111.388 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mm -74.77 -40.44 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 110.987 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.16 -26.17 62.87 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.62 -61.41 2.1 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.694 0.797 . . . . 0.0 111.291 161.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.265 0.4 OUTLIER -61.68 -41.11 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 O-C-N 120.858 -1.151 . . . . 0.0 111.603 -171.116 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.23 75.2 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 113.567 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.41 -35.14 54.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.292 -2.13 . . . . 0.0 111.324 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.18 -38.77 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 C-N-CA 126.7 2.0 . . . . 0.0 108.929 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 68.0 mt -55.42 -50.94 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 113.402 166.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -57.76 -29.04 64.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.174 0.989 . . . . 0.0 111.66 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -47.04 14.4 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 120.082 -1.636 . . . . 0.0 113.404 169.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.08 -16.61 59.09 Favored Glycine 0 C--O 1.185 -2.928 0 CA-C-O 117.827 -1.541 . . . . 0.0 116.73 -162.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 62.27 5.0 Favored Glycine 0 C--O 1.199 -2.035 0 CA-C-N 122.077 2.939 . . . . 0.0 112.865 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 11.2 m-85 . . . . . 0 N--CA 1.441 -0.906 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -168.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -67.38 -25.84 66.16 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.735 1.614 . . . . 0.0 111.676 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 -12.76 60.64 Favored 'General case' 0 C--O 1.208 -1.099 0 C-N-CA 126.533 1.933 . . . . 0.0 114.38 170.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.54 61.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.74 76.47 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 121.018 1.736 . . . . 0.0 112.333 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -24.77 67.91 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.15 8.03 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 120.545 1.52 . . . . 0.0 111.97 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.8 -36.58 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 125.097 1.359 . . . . 0.0 110.757 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -67.06 -28.62 68.35 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.111 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 -56.59 8.2 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.76 163.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -39.03 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 120.113 1.324 . . . . 0.0 111.682 -168.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.61 69.19 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 120.146 1.339 . . . . 0.0 113.898 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.61 -37.72 62.76 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 119.508 1.049 . . . . 0.0 111.795 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.68 -46.88 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.736 2.014 . . . . 0.0 109.818 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.51 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 66.4 mt -52.36 -50.93 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 O-C-N 118.168 -2.833 . . . . 0.0 113.343 168.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.65 -26.15 61.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.641 1.176 . . . . 0.0 114.163 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.96 -42.16 12.65 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 125.593 1.557 . . . . 0.0 114.107 168.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.94 -9.9 58.0 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 127.381 2.42 . . . . 0.0 116.764 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.97 57.87 14.16 Favored Glycine 0 C--O 1.21 -1.374 0 CA-C-N 120.869 2.335 . . . . 0.0 113.527 167.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 10.3 m-85 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 120.798 -1.413 . . . . 0.0 113.19 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -58.6 -34.31 70.97 Favored 'General case' 0 C--O 1.194 -1.83 0 C-N-CA 125.699 1.6 . . . . 0.0 113.408 162.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.62 66.06 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 127.08 2.152 . . . . 0.0 113.688 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . . . -79.47 1.28 26.18 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -176.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.11 -59.18 1.78 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 124.081 0.952 . . . . 0.0 111.426 148.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.06 75.42 Favored 'General case' 0 C--O 1.208 -1.089 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -168.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.48 -41.23 40.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 109.884 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.06 -44.96 99.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 123.043 0.537 . . . . 0.0 109.817 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -68.32 -26.92 65.86 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.323 1.449 . . . . 0.0 113.897 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -57.38 4.58 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.12 1.368 . . . . 0.0 110.885 161.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.262 1.7 mp -65.97 -35.01 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 O-C-N 120.201 -1.562 . . . . 0.0 112.84 -168.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.34 -29.56 69.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 119.759 -1.838 . . . . 0.0 114.092 173.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.87 -33.9 45.42 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.244 1.818 . . . . 0.0 112.01 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.9 mt -66.82 -45.99 86.42 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 C-N-CA 127.021 2.128 . . . . 0.0 108.112 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.44 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 59.9 mt -51.21 -48.12 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 O-C-N 118.505 -2.622 . . . . 0.0 114.996 167.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -58.12 -32.96 68.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.022 1.329 . . . . 0.0 112.391 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.74 -41.24 19.49 Favored 'General case' 0 C--O 1.192 -1.942 0 C-N-CA 126.284 1.834 . . . . 0.0 113.289 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.99 -9.35 59.65 Favored Glycine 0 N--CA 1.44 -1.082 0 CA-C-O 117.252 -1.86 . . . . 0.0 116.816 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.07 50.4 60.73 Favored Glycine 0 C--O 1.2 -2.0 0 CA-C-N 120.93 2.365 . . . . 0.0 114.147 164.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.44 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 17.0 m-85 . . . . . 0 C--O 1.197 -1.697 0 C-N-CA 126.85 2.06 . . . . 0.0 113.619 -168.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . 1.335 ' HZ1' ' CE ' ' D' ' 69' ' ' LYS . 10.2 mmpt? -65.83 -25.96 67.45 Favored 'General case' 0 C--O 1.208 -1.086 0 C-N-CA 127.091 2.156 . . . . 0.0 112.221 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.8 -16.58 62.18 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 126.074 1.75 . . . . 0.0 113.602 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' C' ' 65' ' ' PHE . . . -76.04 -43.91 41.65 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.622 -1.18 . . . . 0.0 114.145 -156.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.91 -52.45 60.53 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.421 1.464 . . . . 0.0 112.239 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.96 70.3 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 119.814 -1.804 . . . . 0.0 114.984 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.51 -48.77 16.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.174 0.99 . . . . 0.0 112.234 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.22 -34.38 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.714 1.606 . . . . 0.0 110.879 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -73.1 -23.01 60.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.27 -59.42 3.02 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 118.074 0.397 . . . . 0.0 110.6 159.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -38.49 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 117.693 -1.146 . . . . 0.0 111.713 -165.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -26.72 65.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 120.596 1.544 . . . . 0.0 114.281 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.73 -31.91 41.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.588 -1.32 . . . . 0.0 111.402 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . 1.006 HG23 ' CB ' ' D' ' 81' ' ' ILE . 65.9 mt -71.72 -42.18 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 125.055 1.342 . . . . 0.0 109.054 174.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -54.36 -43.71 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 C-N-CA 126.128 1.771 . . . . 0.0 114.181 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.09 -44.2 20.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.707 1.603 . . . . 0.0 112.624 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.15 11.63 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 117.373 -1.793 . . . . 0.0 116.638 -166.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.21 61.22 4.66 Favored Glycine 0 C--O 1.192 -2.508 0 CA-C-N 119.732 1.766 . . . . 0.0 111.434 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' C' ' 49' ' ' ALA . 6.2 m-85 . . . . . 0 N--CA 1.442 -0.872 0 C-N-CA 126.725 2.01 . . . . 0.0 113.886 -170.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -57.01 -27.68 61.81 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 125.129 1.372 . . . . 0.0 113.28 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.06 -2.9 58.76 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.79 1.636 . . . . 0.0 115.179 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 9' ' ' ILE . . . -62.43 -44.75 95.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.645 -164.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -47.09 66.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 119.974 1.261 . . . . 0.0 112.41 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.43 -30.45 66.9 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 126.15 1.78 . . . . 0.0 114.828 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.11 -58.37 3.32 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 120.675 1.579 . . . . 0.0 109.193 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.112 HD13 ' CG1' ' A' ' 9' ' ' ILE . 16.6 mm -66.64 -39.79 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 123.54 0.736 . . . . 0.0 111.77 -164.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.87 -24.12 59.69 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.149 0.979 . . . . 0.0 111.823 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.45 -61.53 1.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.809 1.244 . . . . 0.0 110.687 161.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -51.77 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.409 -166.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.48 17.56 0.27 Allowed 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 121.175 1.807 . . . . 0.0 114.734 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 -37.36 4.05 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 127.555 2.342 . . . . 0.0 111.827 160.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.32 -37.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 126.272 1.829 . . . . 0.0 111.187 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.408 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -46.12 -57.84 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 128.964 2.906 . . . . 0.0 110.975 168.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 1.606 ' HZ2' ' CE ' ' A' ' 17' ' ' LYS . 49.0 mttt -69.5 -40.59 76.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 128.611 2.764 . . . . 0.0 112.468 -170.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.39 84.31 Favored 'General case' 0 C--O 1.203 -1.347 0 C-N-CA 126.987 2.115 . . . . 0.0 111.978 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.23 46.42 Favored Glycine 1 C--O 1.164 -4.221 0 C-N-CA 124.672 1.129 . . . . 0.0 114.161 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.62 11.37 64.1 Favored Glycine 0 C--O 1.185 -2.949 0 C-N-CA 126.275 1.893 . . . . 0.0 114.285 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.366 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.53 0 C-N-CA 126.58 1.952 . . . . 0.0 114.893 -169.334 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.334 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -56.09 -10.19 0.78 Allowed 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.75 -19.92 0.07 Allowed 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 127.099 2.16 . . . . 0.0 115.153 154.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.38 -48.97 68.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 125.746 1.618 . . . . 0.0 112.521 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -7.17 9.38 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 120.279 -1.513 . . . . 0.0 114.922 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.6 -46.89 6.76 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.839 1.656 . . . . 0.0 112.469 162.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -47.07 54.69 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 119.202 -2.186 . . . . 0.0 110.647 -168.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.19 -44.71 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.831 1.252 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.65 -46.25 90.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.277 1.031 . . . . 0.0 111.58 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -6.85 14.4 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 115.664 1.728 . . . . 0.0 115.664 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.271 0.3 OUTLIER -117.01 -54.51 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.856 2.063 . . . . 0.0 113.008 173.317 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.23 67.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.785 2.084 . . . . 0.0 112.173 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.79 -30.29 45.43 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.961 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.91 -35.86 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 124.027 0.931 . . . . 0.0 109.465 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.7 -41.47 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.448 1.899 . . . . 0.0 114.496 172.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -57.26 -31.13 65.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.94 1.296 . . . . 0.0 112.304 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.15 11.98 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.492 1.117 . . . . 0.0 113.427 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.86 -43.32 66.79 Favored Glycine 0 C--O 1.208 -1.469 0 C-N-CA 124.413 1.006 . . . . 0.0 114.203 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.8 42.39 Favored Glycine 0 C--O 1.196 -2.276 0 C-N-CA 125.015 1.293 . . . . 0.0 115.336 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 . . . . . 0 N--CA 1.437 -1.084 0 C-N-CA 126.76 2.024 . . . . 0.0 116.369 -167.227 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -48.48 -37.78 18.35 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 119.907 -1.745 . . . . 0.0 112.834 158.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.27 3.98 25.45 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 128.391 2.676 . . . . 0.0 115.194 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . 0.491 ' O ' HG12 ' C' ' 53' ' ' ILE . . . -64.79 -46.55 81.59 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -164.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.02 -38.96 58.69 Favored 'General case' 0 C--O 1.177 -2.728 0 CA-C-N 119.324 0.965 . . . . 0.0 112.681 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.55 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 120.586 -1.321 . . . . 0.0 113.77 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.96 -49.36 24.9 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 119.865 1.211 . . . . 0.0 112.057 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . 0.491 HG12 ' O ' ' C' ' 49' ' ' ALA . 36.2 mm -63.28 -44.55 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 123.999 0.812 . . . . 0.0 110.958 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -74.32 -20.69 60.02 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.23 -67.02 0.49 Allowed 'General case' 0 N--CA 1.446 -0.651 0 O-C-N 120.937 -1.102 . . . . 0.0 110.846 155.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.293 0.4 OUTLIER -61.31 -51.35 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 121.333 -0.854 . . . . 0.0 112.58 -166.025 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.17 21.07 0.61 Allowed 'General case' 0 N--CA 1.44 -0.949 0 O-C-N 119.493 -2.004 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.92 -44.86 3.0 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.808 2.043 . . . . 0.0 110.609 159.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -57.92 -36.99 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 125.513 1.525 . . . . 0.0 110.569 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.448 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 3.0 mm -46.61 -61.36 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 C-N-CA 126.306 1.842 . . . . 0.0 112.16 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -66.32 -37.03 84.44 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.475 2.71 . . . . 0.0 112.895 -169.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.13 71.28 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 126.227 1.811 . . . . 0.0 111.011 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.29 86.44 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 125.393 1.473 . . . . 0.0 115.503 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.21 7.83 30.1 Favored Glycine 0 C--O 1.202 -1.876 0 C-N-CA 126.187 1.851 . . . . 0.0 115.637 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 2.8 m-85 . . . . . 0 C--O 1.193 -1.908 0 CA-C-N 119.482 1.641 . . . . 0.0 113.773 -173.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.112 0 CA-C-O 122.036 0.922 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -92.33 -32.96 14.79 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 126.647 1.979 . . . . 0.0 113.85 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.43 64.5 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.972 1.709 . . . . 0.0 112.262 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.92 9.08 1.26 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.919 1.688 . . . . 0.0 114.76 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.85 -56.26 2.72 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.259 -1.526 . . . . 0.0 110.644 149.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.24 69.63 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.43 76.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.783 1.278 . . . . 0.0 111.007 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.7 -43.57 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 124.677 1.191 . . . . 0.0 110.521 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.0 -16.48 53.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.33 -72.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 122.067 0.937 . . . . 0.0 111.304 149.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -37.72 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 O-C-N 119.912 -1.743 . . . . 0.0 112.642 -155.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.65 64.87 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 121.053 1.751 . . . . 0.0 113.907 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.21 -35.96 40.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.91 1.284 . . . . 0.0 111.388 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.02 -41.3 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 127.054 2.142 . . . . 0.0 109.302 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.481 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 40.9 mt -52.69 -52.0 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.069 2.148 . . . . 0.0 114.205 166.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -59.31 -26.29 64.87 Favored 'General case' 0 C--O 1.209 -1.078 0 C-N-CA 125.331 1.452 . . . . 0.0 113.518 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.0 -41.67 17.03 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.6 1.16 . . . . 0.0 112.979 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -44.22 31.2 Favored Glycine 0 C--O 1.196 -2.251 0 C-N-CA 124.638 1.113 . . . . 0.0 114.196 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.64 24.92 16.69 Favored Glycine 0 C--O 1.209 -1.441 0 C-N-CA 125.032 1.301 . . . . 0.0 114.338 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 14.4 m-85 . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 123.539 1.637 . . . . 0.0 113.109 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -1.834 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -49.32 -32.1 10.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 163.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.86 -2.72 41.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.667 1.987 . . . . 0.0 115.91 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.53 20.04 4.19 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 118.801 -2.437 . . . . 0.0 114.861 -168.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.96 -52.04 3.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 120.502 -1.374 . . . . 0.0 109.662 146.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.22 70.2 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 114.684 -172.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.85 69.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.698 1.713 . . . . 0.0 111.837 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.43 -39.43 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.696 -169.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.97 -22.0 61.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.022 1.729 . . . . 0.0 112.467 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 -64.34 0.93 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.381 0.672 . . . . 0.0 111.297 156.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 tt -65.05 -41.19 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -163.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.5 -30.38 71.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 119.813 1.188 . . . . 0.0 113.205 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.41 52.43 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.735 1.214 . . . . 0.0 112.714 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.54 -39.31 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.63 1.572 . . . . 0.0 109.267 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.422 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 46.3 mt -58.48 -45.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 127.207 2.203 . . . . 0.0 112.924 169.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -59.61 -24.36 63.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 114.415 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -49.04 8.61 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 125.126 1.37 . . . . 0.0 111.866 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -42.83 93.18 Favored Glycine 0 C--O 1.199 -2.059 0 CA-C-N 119.599 1.09 . . . . 0.0 115.21 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.65 39.42 48.93 Favored Glycine 0 C--O 1.203 -1.821 0 CA-C-N 119.829 1.815 . . . . 0.0 113.301 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 79.5 m-85 . . . . . 0 C--O 1.19 -2.042 0 C-N-CA 126.087 1.755 . . . . 0.0 114.953 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.856 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -52.65 -33.17 45.74 Favored 'General case' 0 C--O 1.189 -2.129 0 O-C-N 120.783 -1.198 . . . . 0.0 113.891 160.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.39 -5.73 59.28 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 128.328 2.651 . . . . 0.0 114.621 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.64 43.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.132 -161.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -36.45 33.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.868 1.667 . . . . 0.0 112.791 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.85 97.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 119.887 -1.758 . . . . 0.0 112.564 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.68 64.01 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.127 0.971 . . . . 0.0 111.454 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.11 -50.89 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 122.869 0.468 . . . . 0.0 111.052 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.23 -40.77 91.39 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.36 -4.17 31.74 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.27 0.3 OUTLIER -121.54 -52.37 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 177.429 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.63 67.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 122.078 2.217 . . . . 0.0 112.402 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.0 -26.66 43.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.494 -1.379 . . . . 0.0 110.732 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.63 -39.55 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 119.789 -1.819 . . . . 0.0 109.151 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.03 -45.65 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 124.936 1.294 . . . . 0.0 113.667 167.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.669 1.188 . . . . 0.0 112.609 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 -46.81 13.52 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 124.934 1.293 . . . . 0.0 113.927 167.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.52 -54.68 11.88 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 126.149 1.833 . . . . 0.0 112.847 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.86 50.75 6.24 Favored Glycine 0 N--CA 1.441 -1.028 0 O-C-N 120.483 -1.598 . . . . 0.0 112.306 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 N--CA 1.436 -1.169 0 C-N-CA 127.931 2.493 . . . . 0.0 113.168 -168.279 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.407 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -56.34 -27.59 56.37 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.048 1.339 . . . . 0.0 114.208 162.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.45 -4.99 55.83 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.346 1.858 . . . . 0.0 114.639 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.86 87.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.825 -1.172 . . . . 0.0 112.919 -169.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.79 -19.94 63.06 Favored 'General case' 0 C--O 1.163 -3.477 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -46.11 20.78 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 127.39 2.276 . . . . 0.0 114.451 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.08 23.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 123.601 1.667 . . . . 0.0 111.045 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -69.83 -43.93 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.271 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -71.59 -18.99 62.19 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -68.26 0.39 Allowed 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.218 0.532 . . . . 0.0 110.991 156.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -41.65 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.494 -160.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.8 66.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.52 24.47 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.643 0.777 . . . . 0.0 112.108 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.81 -41.37 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.907 1.683 . . . . 0.0 109.428 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 25.2 mt -53.73 -46.16 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 125.943 1.697 . . . . 0.0 114.919 168.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -30.15 71.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.625 0.578 . . . . 0.0 112.222 177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.19 30.64 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 124.644 1.178 . . . . 0.0 113.32 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.69 -52.15 48.11 Favored Glycine 0 C--O 1.186 -2.845 0 C-N-CA 124.828 1.204 . . . . 0.0 115.502 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.97 10.72 Favored Glycine 0 C--O 1.206 -1.607 0 C-N-CA 126.15 1.834 . . . . 0.0 114.827 -172.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 87.3 m-85 . . . . . 0 C--O 1.193 -1.876 0 C-N-CA 126.249 1.819 . . . . 0.0 113.452 -171.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.858 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -52.59 -33.12 44.68 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 125.454 1.502 . . . . 0.0 113.48 159.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.32 -3.43 55.33 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.726 2.81 . . . . 0.0 114.237 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.1 15.37 2.86 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 -170.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.88 -54.07 3.32 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.847 -1.783 . . . . 0.0 110.153 148.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.26 -43.56 64.45 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.92 79.67 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 123.4 1.572 . . . . 0.0 111.328 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.93 -41.42 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.321 -1.308 . . . . 0.0 111.253 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -72.58 -23.78 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.948 -1.095 . . . . 0.0 112.545 -176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.31 -74.85 0.07 Allowed 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.634 0.73 . . . . 0.0 110.647 152.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 tt -68.47 -39.28 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 O-C-N 120.306 -1.496 . . . . 0.0 112.28 -152.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.27 66.38 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 119.98 1.264 . . . . 0.0 113.753 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.09 -36.17 55.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.933 1.293 . . . . 0.0 112.257 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.36 -41.52 80.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 111.349 172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.459 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 31.7 mt -55.28 -47.35 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 125.478 1.511 . . . . 0.0 114.015 169.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -57.87 -28.47 64.19 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.443 1.097 . . . . 0.0 111.914 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.82 14.51 Favored 'General case' 0 C--O 1.196 -1.727 0 C-N-CA 126.158 1.783 . . . . 0.0 112.575 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.69 -38.28 57.12 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 127.073 2.273 . . . . 0.0 116.654 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.98 36.55 40.98 Favored Glycine 0 C--O 1.201 -1.914 0 CA-C-N 120.411 2.106 . . . . 0.0 115.53 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 57.3 m-85 . . . . . 0 C--O 1.188 -2.169 0 C-N-CA 128.624 2.769 . . . . 0.0 115.694 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.85 -36.66 83.97 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -161.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.4 -3.54 37.58 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 126.198 1.799 . . . . 0.0 115.381 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -53.71 47.98 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -168.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.07 76.35 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 121.768 2.076 . . . . 0.0 112.572 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -39.92 68.27 Favored 'General case' 0 C--O 1.209 -1.032 0 C-N-CA 126.189 1.795 . . . . 0.0 113.261 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.01 -49.63 11.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 123.712 1.72 . . . . 0.0 111.815 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mm -75.8 -32.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.968 1.307 . . . . 0.0 111.129 -165.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -61.28 -41.11 96.39 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 118.693 0.678 . . . . 0.0 110.819 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.96 12.64 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.902 2.081 . . . . 0.0 114.348 174.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -49.99 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 126.166 1.786 . . . . 0.0 112.123 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.27 85.13 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 121.391 1.905 . . . . 0.0 113.465 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.11 61.29 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 124.604 1.161 . . . . 0.0 112.544 174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.05 -38.75 13.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 125.571 1.549 . . . . 0.0 110.969 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.27 -46.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 126.909 2.083 . . . . 0.0 112.646 165.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -53.38 -29.46 34.74 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 127.576 2.35 . . . . 0.0 111.659 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.44 -51.82 5.51 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.951 1.705 . . . . 0.0 112.753 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.49 -49.68 54.65 Favored Glycine 0 C--O 1.199 -2.072 0 C-N-CA 125.316 1.436 . . . . 0.0 115.731 -171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.72 2.68 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 126.011 1.767 . . . . 0.0 113.234 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 . . . . . 0 C--O 1.205 -1.265 0 C-N-CA 128.15 2.58 . . . . 0.0 114.799 -163.647 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -56.31 -28.25 58.23 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 164.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -8.19 57.34 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 128.116 2.566 . . . . 0.0 114.611 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.83 -43.37 58.95 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -161.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.0 70.31 Favored 'General case' 0 C--O 1.168 -3.231 0 CA-C-N 119.3 0.954 . . . . 0.0 112.161 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.03 67.46 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 119.63 -1.919 . . . . 0.0 112.296 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.98 -45.45 57.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.568 -1.958 . . . . 0.0 111.73 -171.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.3 mm -76.72 -30.86 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.734 1.614 . . . . 0.0 110.538 -173.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -62.36 -40.82 97.65 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 118.366 0.53 . . . . 0.0 112.029 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.91 26.86 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 127.745 2.418 . . . . 0.0 116.066 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -108.72 -50.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 126.944 2.098 . . . . 0.0 113.87 171.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.75 80.83 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 121.762 2.074 . . . . 0.0 113.201 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.24 61.7 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 125.137 1.375 . . . . 0.0 113.281 174.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.15 -36.71 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 126.056 1.743 . . . . 0.0 110.001 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -50.05 -44.39 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 119.255 -2.153 . . . . 0.0 113.311 163.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -56.25 -28.58 59.02 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.533 1.533 . . . . 0.0 111.566 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.24 -38.7 12.52 Favored 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 125.894 1.678 . . . . 0.0 114.244 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 -24.37 61.76 Favored Glycine 0 C--O 1.2 -2.012 0 C-N-CA 126.275 1.893 . . . . 0.0 116.176 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.57 39.43 68.01 Favored Glycine 0 C--O 1.2 -1.988 0 CA-C-N 120.068 1.934 . . . . 0.0 115.085 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 C--O 1.204 -1.294 0 C-N-CA 126.641 1.976 . . . . 0.0 115.02 -175.341 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -71.0 -23.44 62.19 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 125.832 1.653 . . . . 0.0 110.578 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.53 -16.63 60.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.52 2.328 . . . . 0.0 114.464 171.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.56 -46.14 27.6 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 -154.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.77 -50.84 71.08 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 119.862 1.21 . . . . 0.0 111.997 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.08 70.37 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 113.103 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.55 -55.54 11.31 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 119.833 -1.792 . . . . 0.0 110.328 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mt -82.88 -18.69 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.365 1.066 . . . . 0.0 112.88 -165.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.31 -19.74 65.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.098 -1.626 . . . . 0.0 113.734 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.1 -60.8 2.21 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.218 1.007 . . . . 0.0 111.744 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -67.11 -36.86 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 O-C-N 120.389 -1.445 . . . . 0.0 113.712 -163.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.22 67.3 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 119.207 -2.183 . . . . 0.0 115.285 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 -35.77 37.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.88 0.847 . . . . 0.0 110.663 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.0 -46.95 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 C-N-CA 127.351 2.261 . . . . 0.0 108.643 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.426 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 58.1 mt -53.48 -48.24 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 114.186 170.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -59.76 -26.61 65.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.03 10.47 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.339 -1.476 . . . . 0.0 113.816 166.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.54 -14.44 79.99 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 116.674 1.429 . . . . 0.0 116.674 -166.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.69 49.14 81.86 Favored Glycine 0 C--O 1.211 -1.298 0 CA-C-N 120.321 2.061 . . . . 0.0 114.086 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 12.4 m-85 . . . . . 0 C--O 1.188 -2.141 0 C-N-CA 126.288 1.835 . . . . 0.0 114.283 -165.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -65.35 -36.65 84.68 Favored 'General case' 0 C--O 1.206 -1.203 0 O-C-N 120.114 -1.616 . . . . 0.0 111.331 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -18.79 56.68 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.188 1.795 . . . . 0.0 115.314 167.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.74 12.92 5.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.907 -1.746 . . . . 0.0 114.522 -166.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.26 -58.18 2.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.119 1.368 . . . . 0.0 107.724 155.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.35 78.68 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.052 1.741 . . . . 0.0 113.969 -172.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.63 88.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.509 1.924 . . . . 0.0 109.895 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.87 -42.54 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 126.211 1.805 . . . . 0.0 109.836 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.77 -27.73 67.83 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.989 1.315 . . . . 0.0 113.782 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 -62.1 1.76 Allowed 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.524 1.129 . . . . 0.0 110.678 158.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -42.34 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -166.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.95 71.42 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 119.672 -1.893 . . . . 0.0 114.234 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -31.65 62.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 119.804 -1.81 . . . . 0.0 113.071 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.74 -42.01 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 126.899 2.08 . . . . 0.0 109.639 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.406 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 71.7 mt -57.64 -45.16 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 112.57 171.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -58.38 -25.59 62.23 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.985 1.314 . . . . 0.0 113.383 173.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.74 -44.85 10.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 120.714 -1.241 . . . . 0.0 114.041 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.34 -26.62 32.8 Favored Glycine 1 C--O 1.142 -5.647 0 CA-C-O 116.046 -2.53 . . . . 0.0 117.842 -166.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.25 62.08 4.41 Favored Glycine 0 C--O 1.203 -1.841 0 CA-C-N 123.486 3.643 . . . . 0.0 112.648 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.406 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.5 m-85 . . . . . 0 C--O 1.176 -2.768 0 C-N-CA 128.091 2.556 . . . . 0.0 113.404 -169.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.156 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.75 -32.45 69.25 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 126.887 2.075 . . . . 0.0 111.765 172.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 -10.7 56.96 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 128.026 2.531 . . . . 0.0 114.411 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.56 -55.34 28.23 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.37 -164.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.21 -43.19 42.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.68 72.93 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 125.468 1.507 . . . . 0.0 114.919 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.54 -40.43 35.0 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 119.872 1.215 . . . . 0.0 111.969 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 1.009 HG21 ' CB ' ' A' ' 9' ' ' ILE . 6.7 mm -64.68 -50.95 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 121.528 -0.732 . . . . 0.0 111.599 177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -74.52 -18.0 60.67 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -76.97 0.06 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 118.121 0.418 . . . . 0.0 111.591 148.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -38.75 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 120.17 -1.581 . . . . 0.0 112.727 -157.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.39 64.34 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 121.498 1.954 . . . . 0.0 112.277 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.15 65.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.622 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.12 -40.66 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 125.064 1.346 . . . . 0.0 108.952 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 37.5 mt -54.51 -48.66 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 126.879 2.072 . . . . 0.0 112.912 168.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.8 -30.11 63.38 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 125.027 1.331 . . . . 0.0 112.956 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.63 -41.65 17.57 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 125.664 1.586 . . . . 0.0 114.678 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.09 49.14 Favored Glycine 0 C--O 1.205 -1.707 0 C-N-CA 125.944 1.735 . . . . 0.0 113.956 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.97 26.5 12.5 Favored Glycine 0 C--O 1.214 -1.137 0 C-N-CA 126.049 1.785 . . . . 0.0 114.483 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 27.1 m-85 . . . . . 0 C--O 1.174 -2.879 0 C-N-CA 126.658 1.983 . . . . 0.0 113.872 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -48.91 -36.14 16.54 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 119.941 1.246 . . . . 0.0 112.172 159.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.08 -1.3 57.78 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 127.002 2.121 . . . . 0.0 115.254 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.78 53.63 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.88 73.38 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 119.564 1.075 . . . . 0.0 111.806 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.44 82.13 Favored 'General case' 0 C--O 1.191 -1.998 0 C-N-CA 125.062 1.345 . . . . 0.0 112.711 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.44 30.61 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.514 1.961 . . . . 0.0 111.765 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.96 -37.35 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 C-N-CA 123.937 0.895 . . . . 0.0 110.454 -167.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.26 -21.17 61.42 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 112.725 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.12 -65.04 0.73 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 158.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -40.05 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.63 -161.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -31.59 72.88 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 120.098 1.317 . . . . 0.0 112.94 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.87 -37.04 49.1 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.969 1.308 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.979 HD12 ' CG1' ' B' ' 37' ' ' ILE . 55.3 mt -63.81 -40.28 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.4 1.88 . . . . 0.0 109.019 171.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.455 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 31.0 mt -59.74 -52.16 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 118.706 -2.496 . . . . 0.0 112.142 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -54.57 -29.02 50.01 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.52 1.528 . . . . 0.0 112.492 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.29 -38.96 17.0 Favored 'General case' 0 C--O 1.196 -1.728 0 N-CA-C 114.374 1.249 . . . . 0.0 114.374 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.88 -20.25 68.49 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 126.792 2.139 . . . . 0.0 118.395 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.86 24.79 66.09 Favored Glycine 0 C--O 1.204 -1.764 0 CA-C-N 118.598 1.199 . . . . 0.0 114.229 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 95.2 m-85 . . . . . 0 C--O 1.207 -1.173 0 C-N-CA 126.324 1.85 . . . . 0.0 115.46 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . 0.266 . . . . . . . 0 N--CA 1.434 -1.267 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.41 -32.15 73.63 Favored 'General case' 0 C--O 1.189 -2.083 0 C-N-CA 126.023 1.729 . . . . 0.0 111.595 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -16.07 61.44 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 129.382 3.073 . . . . 0.0 113.515 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -58.9 6.18 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.569 0.622 . . . . 0.0 112.083 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.05 0.59 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.662 1.585 . . . . 0.0 114.776 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.33 -58.74 2.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 120.937 1.699 . . . . 0.0 111.319 149.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.77 -62.36 1.75 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.905 2.082 . . . . 0.0 115.21 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -22.24 16.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 O-C-N 120.038 -1.664 . . . . 0.0 111.498 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.73 56.59 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 125.84 1.656 . . . . 0.0 109.873 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.79 52.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 123.992 0.807 . . . . 0.0 110.121 163.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -38.65 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 O-C-N 121.17 -0.956 . . . . 0.0 113.018 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.07 75.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 120.378 -1.451 . . . . 0.0 114.437 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.9 74.06 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 125.719 1.608 . . . . 0.0 111.415 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.11 -46.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.837 2.855 . . . . 0.0 110.015 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 72.5 mt -53.24 -46.9 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 127.256 2.222 . . . . 0.0 115.697 169.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -56.23 -26.98 53.27 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 124.704 1.252 . . . . 0.0 112.725 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.01 -39.36 12.26 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 126.516 1.926 . . . . 0.0 114.781 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.16 -15.55 71.79 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 127.325 2.393 . . . . 0.0 118.36 -171.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.2 44.86 93.25 Favored Glycine 0 C--O 1.187 -2.801 0 CA-C-N 121.729 2.765 . . . . 0.0 114.191 167.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 . . . . . 0 C--O 1.203 -1.373 0 C-N-CA 127.465 2.306 . . . . 0.0 113.624 -169.558 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.9 -30.1 69.98 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.738 -1.851 . . . . 0.0 112.96 165.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.22 -7.22 22.2 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 127.804 2.442 . . . . 0.0 115.183 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.13 16.13 4.56 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 118.026 -2.921 . . . . 0.0 117.21 -166.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.02 -52.3 3.2 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.138 0.273 . . . . 0.0 110.887 147.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.28 72.45 Favored 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 125.935 1.694 . . . . 0.0 114.103 -173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.65 77.9 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 125.507 1.523 . . . . 0.0 110.741 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . 0.969 HG22 ' CB ' ' D' ' 75' ' ' ILE . 9.3 mm -64.83 -46.53 91.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 125.633 1.573 . . . . 0.0 110.846 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.06 -26.42 67.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 117.957 -1.02 . . . . 0.0 113.23 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.38 -64.43 0.86 Allowed 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 123.696 0.798 . . . . 0.0 111.973 159.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.295 0.2 OUTLIER -58.45 -49.98 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -170.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.29 17.82 0.6 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.06 1.344 . . . . 0.0 114.082 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.33 -37.59 3.73 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.224 1.81 . . . . 0.0 111.866 159.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.81 -31.21 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.236 -2.165 . . . . 0.0 110.543 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.444 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . 1.2 mm -51.98 -56.18 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 128.973 2.909 . . . . 0.0 112.833 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.89 -34.23 76.25 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 127.659 2.384 . . . . 0.0 113.562 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.66 64.29 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 128.318 2.647 . . . . 0.0 113.084 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.91 -30.77 60.93 Favored Glycine 0 C--O 1.169 -3.927 0 C-N-CA 125.764 1.65 . . . . 0.0 114.098 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.87 6.25 58.18 Favored Glycine 0 N--CA 1.418 -2.53 0 C-N-CA 126.885 2.184 . . . . 0.0 113.902 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' D' ' 82' ' ' ILE . 1.6 m-85 . . . . . 0 C--O 1.201 -1.485 0 CA-C-N 118.152 0.976 . . . . 0.0 111.816 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -51.56 -34.16 35.59 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 125.918 1.687 . . . . 0.0 112.182 160.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.02 -3.91 58.37 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 127.249 2.219 . . . . 0.0 114.615 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.08 -52.39 65.12 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 120.03 1.286 . . . . 0.0 111.886 -162.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.53 61.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 120.023 1.283 . . . . 0.0 113.383 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.37 83.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.6 -44.48 28.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.314 1.046 . . . . 0.0 110.909 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.9 -46.74 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.678 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.93 -23.91 60.75 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.181 0.593 . . . . 0.0 112.35 -170.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.17 -69.03 0.24 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 122.538 1.161 . . . . 0.0 114.098 156.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.283 4.3 tt -59.41 -53.66 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 O-C-N 120.855 -1.153 . . . . 0.0 113.263 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.47 9.63 1.01 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 122.078 2.217 . . . . 0.0 115.339 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.32 -40.69 5.75 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.975 2.11 . . . . 0.0 111.002 162.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.66 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 127.498 2.319 . . . . 0.0 111.399 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -40.51 -60.6 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 C-N-CA 129.471 3.108 . . . . 0.0 111.26 170.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -66.92 -39.34 87.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.253 2.621 . . . . 0.0 113.923 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.77 -32.84 70.09 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 126.813 2.045 . . . . 0.0 112.087 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.93 -61.15 3.37 Favored Glycine 0 C--O 1.198 -2.153 0 O-C-N 120.671 -1.268 . . . . 0.0 112.804 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.04 3.03 10.94 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 125.334 1.445 . . . . 0.0 115.381 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.32 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.696 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -174.528 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.885 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -51.66 -30.49 21.89 Favored 'General case' 0 C--O 1.211 -0.956 0 C-N-CA 125.195 1.398 . . . . 0.0 113.718 159.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.33 0.81 56.53 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 127.698 2.399 . . . . 0.0 116.536 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.26 4.02 32.82 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -168.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.88 -54.05 5.15 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 121.709 2.049 . . . . 0.0 108.998 150.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.88 79.53 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.304 1.841 . . . . 0.0 114.052 -170.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.95 80.84 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 122.087 0.946 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 22.1 mm -82.09 -40.24 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.571 1.549 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -78.93 -18.69 53.38 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -76.55 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.119 0.961 . . . . 0.0 111.272 145.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.66 -39.57 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 120.76 -1.213 . . . . 0.0 113.613 -153.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.34 64.6 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 120.547 1.522 . . . . 0.0 114.469 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.98 27.91 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.168 1.787 . . . . 0.0 112.338 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.19 -39.33 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 126.236 1.814 . . . . 0.0 109.154 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 24.9 mt -56.86 -45.97 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 120.125 -1.609 . . . . 0.0 115.154 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.668 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -49.06 10.29 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 119.529 1.059 . . . . 0.0 112.841 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.08 98.6 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 116.94 1.536 . . . . 0.0 116.94 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.08 41.85 25.98 Favored Glycine 0 C--O 1.207 -1.555 0 C-N-CA 126.432 1.968 . . . . 0.0 114.428 -172.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 84.5 m-85 . . . . . 0 C--O 1.202 -1.443 0 C-N-CA 126.117 1.767 . . . . 0.0 115.157 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.185 -2.328 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -109.01 -13.92 14.64 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.874 2.47 . . . . 0.0 113.923 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.28 -9.07 59.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.88 -60.59 3.16 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.958 1.303 . . . . 0.0 114.008 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -33.47 69.79 Favored 'General case' 0 C--O 1.205 -1.279 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.46 -28.4 63.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 124.889 1.276 . . . . 0.0 112.332 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.81 -82.21 0.07 Allowed 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 119.87 1.213 . . . . 0.0 112.039 161.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -24.5 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -155.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -36.84 12.73 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.101 -169.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.46 -48.08 72.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.976 0.91 . . . . 0.0 109.206 159.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.02 -35.87 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 O-C-N 120.332 -1.48 . . . . 0.0 114.193 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.04 70.33 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 120.039 1.291 . . . . 0.0 113.823 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.21 -35.09 48.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.87 1.668 . . . . 0.0 113.593 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.93 -36.26 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.3 1.84 . . . . 0.0 111.057 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' C' ' 65' ' ' PHE . 43.5 mt -60.05 -45.55 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 126.68 1.992 . . . . 0.0 113.804 168.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -55.92 -26.04 45.85 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 125.72 1.608 . . . . 0.0 113.156 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.37 8.93 Favored 'General case' 0 C--O 1.191 -2.016 0 C-N-CA 125.849 1.659 . . . . 0.0 113.76 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.05 -21.97 77.41 Favored Glycine 0 N--CA 1.434 -1.434 0 C-N-CA 126.42 1.962 . . . . 0.0 115.609 -171.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.71 26.97 61.73 Favored Glycine 0 C--O 1.203 -1.792 0 CA-C-N 121.957 2.878 . . . . 0.0 114.374 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' PHE . . . . . 0.471 ' CD1' HG12 ' C' ' 60' ' ' ILE . 70.5 m-85 . . . . . 0 C--O 1.197 -1.71 0 C-N-CA 128.16 2.584 . . . . 0.0 112.617 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.005 0 CA-C-O 121.985 0.898 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -58.86 -27.77 65.49 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 120.37 -1.457 . . . . 0.0 114.212 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.96 -1.98 8.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.406 2.283 . . . . 0.0 114.929 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.92 18.93 0.92 Allowed 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.67 -45.08 3.4 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.207 0.603 . . . . 0.0 111.824 150.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.43 85.77 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.814 1.645 . . . . 0.0 115.354 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -34.29 75.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.525 0.679 . . . . 0.0 110.434 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mm -71.12 -44.36 74.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 124.707 1.203 . . . . 0.0 111.837 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -63.45 -33.76 76.26 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.7 1.54 26.1 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 127.37 2.268 . . . . 0.0 115.661 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.252 16.4 tt -118.77 -51.32 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 121.101 1.773 . . . . 0.0 113.293 167.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.34 72.49 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.08 58.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.74 1.216 . . . . 0.0 113.523 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.18 -41.25 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 125.679 1.591 . . . . 0.0 107.669 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 82' ' ' ILE . . . . . 0.453 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 25.8 mt -54.68 -47.47 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.082 2.153 . . . . 0.0 113.349 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.85 -30.49 61.55 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 111.808 173.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.92 -34.93 15.87 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.79 -27.89 52.48 Favored Glycine 0 C--O 1.211 -1.308 0 O-C-N 120.527 -1.358 . . . . 0.0 114.322 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.81 36.68 66.13 Favored Glycine 0 C--O 1.207 -1.591 0 CA-C-N 120.363 2.082 . . . . 0.0 112.681 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 87' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 96.6 m-85 . . . . . 0 N--CA 1.438 -1.065 0 C-N-CA 127.262 2.225 . . . . 0.0 114.683 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.963 ' H1 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.218 -0.595 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.97 2.79 0.07 Allowed 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' H ' ' C ' ' A' ' 1' ' ' ACE . 97.8 mttt -49.29 -37.13 22.87 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 119.779 1.172 . . . . 0.0 113.521 159.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.05 -2.89 36.36 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.449 2.7 . . . . 0.0 116.397 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.24 70.26 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -163.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -48.77 63.59 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 120.46 1.482 . . . . 0.0 112.559 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.63 76.52 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 127.082 2.153 . . . . 0.0 113.894 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.88 -49.19 14.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.037 1.399 . . . . 0.0 112.676 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.403 ' HA ' HG22 ' A' ' 12' ' ' ILE . 4.6 mm -75.54 -34.11 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 111.084 -166.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -71.04 -21.42 62.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.816 0.847 . . . . 0.0 112.576 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 -61.82 1.64 Allowed 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 161.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.403 HG22 ' HA ' ' A' ' 9' ' ' ILE 0.252 15.9 tt -63.67 -43.79 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 O-C-N 119.918 -1.739 . . . . 0.0 112.894 -167.07 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.24 68.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.356 1.889 . . . . 0.0 114.012 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.69 -37.73 49.02 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -68.98 -36.93 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.242 1.417 . . . . 0.0 111.19 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.443 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 mt -53.65 -48.98 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 128.736 2.814 . . . . 0.0 114.408 168.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -60.89 -28.76 69.13 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.7 1.2 . . . . 0.0 111.583 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.62 -46.42 13.31 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-N 119.663 1.12 . . . . 0.0 112.68 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.39 78.6 Favored Glycine 0 C--O 1.198 -2.096 0 C-N-CA 125.558 1.551 . . . . 0.0 115.097 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.87 6.08 Favored Glycine 0 C--O 1.2 -2.01 0 CA-C-O 122.393 0.996 . . . . 0.0 114.178 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.443 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 72.8 m-85 -64.07 -54.6 31.59 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 127.385 2.274 . . . . 0.0 115.487 -175.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.929 0 O-C-N 121.645 -0.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.974 ' H3 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.213 -0.858 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -1.76 0.78 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -47.78 -35.53 10.16 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 119.841 -1.787 . . . . 0.0 114.125 163.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.97 -1.24 38.66 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 128.295 2.638 . . . . 0.0 115.02 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.82 6.08 33.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -165.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.22 -55.34 3.57 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.868 1.213 . . . . 0.0 111.134 152.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.08 72.46 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 126.54 1.936 . . . . 0.0 113.954 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.78 -34.45 66.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.071 -1.643 . . . . 0.0 113.049 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mm -80.94 -37.47 16.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 109.2 -171.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -56.03 -38.81 71.06 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.558 1.143 . . . . 0.0 110.255 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.35 3.36 11.17 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 18.8 tt -122.19 -45.08 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 126.101 1.76 . . . . 0.0 112.642 163.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.54 68.3 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 122.23 2.286 . . . . 0.0 114.322 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.94 -21.65 54.49 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 124.44 1.096 . . . . 0.0 113.514 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.32 -37.46 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 125.29 1.436 . . . . 0.0 110.531 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.415 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 37.6 mt -49.03 -47.42 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 127.254 2.222 . . . . 0.0 111.941 164.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -52.0 -38.29 56.24 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.796 1.639 . . . . 0.0 113.664 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.62 -47.11 15.99 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 124.643 1.177 . . . . 0.0 112.901 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -49.23 49.34 Favored Glycine 0 C--O 1.204 -1.774 0 C-N-CA 126.133 1.825 . . . . 0.0 114.954 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.06 43.96 6.9 Favored Glycine 0 C--O 1.216 -1.018 0 CA-C-N 119.082 1.441 . . . . 0.0 112.948 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.415 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 24.3 m-85 -62.62 -48.43 79.42 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 127.415 2.286 . . . . 0.0 112.859 -168.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 O-C-N 119.125 -2.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 3.09 0.72 Allowed 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 125.573 1.549 . . . . 0.0 114.234 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -51.73 -30.97 24.53 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 126.625 1.97 . . . . 0.0 113.663 165.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 -10.15 58.67 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.669 1.988 . . . . 0.0 115.629 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.62 58.85 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.86 -55.83 30.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.119 0.968 . . . . 0.0 110.7 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.76 -19.76 65.98 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.85 4.25 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 123.11 1.433 . . . . 0.0 109.87 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 mt -84.89 -18.19 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.675 -1.891 . . . . 0.0 112.607 -164.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -70.45 -19.1 62.99 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 119.28 0.946 . . . . 0.0 113.178 171.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.3 2.4 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.869 1.268 . . . . 0.0 111.197 153.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -65.69 -36.81 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 120.523 -1.361 . . . . 0.0 114.547 -162.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -30.59 71.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 119.633 1.106 . . . . 0.0 113.647 173.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.5 41.55 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.449 2.299 . . . . 0.0 111.927 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . 0.971 HD11 ' CG1' ' C' ' 59' ' ' ILE . 61.6 mt -73.94 -35.68 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 128.733 2.813 . . . . 0.0 109.154 171.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.447 HG12 ' CD1' ' C' ' 65' ' ' PHE . 52.7 mt -60.99 -45.06 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 O-C-N 119.521 -1.987 . . . . 0.0 114.184 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.06 -23.43 67.44 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.495 -1.24 . . . . 0.0 113.912 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.19 -41.4 18.48 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 126.683 1.993 . . . . 0.0 113.306 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.81 -61.34 4.72 Favored Glycine 0 C--O 1.192 -2.476 0 C-N-CA 124.834 1.207 . . . . 0.0 114.697 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.02 37.04 6.91 Favored Glycine 0 C--O 1.208 -1.494 0 C-N-CA 126.859 2.171 . . . . 0.0 114.333 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.447 ' CD1' HG12 ' C' ' 60' ' ' ILE . 72.3 m-85 -50.56 -64.17 0.89 Allowed 'General case' 0 C--O 1.196 -1.731 0 C-N-CA 128.382 2.673 . . . . 0.0 115.336 -170.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.083 0 O-C-N 120.6 -1.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.447 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.27 4.0 1.92 Allowed 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.743 0.817 . . . . 0.0 113.046 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -45.25 -35.02 3.12 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 125.8 1.64 . . . . 0.0 114.168 159.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.41 57.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.593 2.357 . . . . 0.0 114.006 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.82 74.28 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.228 -1.545 . . . . 0.0 114.368 -167.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -21.98 66.37 Favored 'General case' 0 C--O 1.174 -2.89 0 O-C-N 120.946 -1.097 . . . . 0.0 113.068 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.43 -32.55 32.61 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 127.139 2.176 . . . . 0.0 113.237 172.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.23 -54.85 4.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 120.701 1.591 . . . . 0.0 110.856 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 8.6 mm -69.89 -42.99 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.008 -165.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -75.04 -23.79 58.17 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.401 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.03 -59.8 2.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 124.172 0.92 . . . . 0.0 110.937 158.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -38.21 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 O-C-N 120.512 -1.368 . . . . 0.0 113.557 -164.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.82 64.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.756 1.616 . . . . 0.0 114.145 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.82 -36.89 41.88 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.66 -41.66 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.246 1.418 . . . . 0.0 110.109 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 70.2 mt -54.08 -48.47 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 O-C-N 119.42 -2.05 . . . . 0.0 115.187 167.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.65 -33.24 54.53 Favored 'General case' 0 C--O 1.206 -1.184 0 C-N-CA 125.168 1.387 . . . . 0.0 112.45 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.02 -37.34 19.04 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.935 1.694 . . . . 0.0 113.943 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.37 -66.85 1.82 Allowed Glycine 0 C--O 1.209 -1.44 0 C-N-CA 125.028 1.299 . . . . 0.0 114.246 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.77 53.45 1.8 Allowed Glycine 0 C--O 1.186 -2.905 0 C-N-CA 125.002 1.287 . . . . 0.0 112.762 -168.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -65.87 -50.69 63.62 Favored 'General case' 0 C--O 1.182 -2.476 0 C-N-CA 127.822 2.449 . . . . 0.0 114.588 -164.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.126 0 O-C-N 119.677 -1.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.936 ' H1 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.217 -0.609 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.9 5.05 0.1 Allowed 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 126.063 1.745 . . . . 0.0 113.258 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -53.13 -30.63 37.93 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 121.359 1.89 . . . . 0.0 113.229 157.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.24 3.43 43.14 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 127.344 2.257 . . . . 0.0 116.269 174.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.34 -55.17 26.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -160.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.38 69.16 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.26 74.59 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.105 -0.997 . . . . 0.0 113.078 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.69 -83.17 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 118.928 0.785 . . . . 0.0 112.466 164.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -23.16 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 120.569 -1.332 . . . . 0.0 112.058 -154.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -97.27 -29.61 13.45 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 118.097 0.408 . . . . 0.0 111.017 -168.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.82 -53.5 57.1 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 157.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.251 1.6 mp -60.17 -36.29 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.37 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.51 76.0 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.4 63.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 112.96 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.48 -41.49 83.22 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 C-N-CA 125.152 1.381 . . . . 0.0 109.108 173.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 65.9 mt -56.17 -49.03 78.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 128.86 2.864 . . . . 0.0 114.829 169.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -53.56 -33.31 54.28 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.278 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.44 24.86 Favored 'General case' 0 C--O 1.185 -2.323 0 O-C-N 119.735 -1.853 . . . . 0.0 114.468 169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.8 -15.19 55.24 Favored Glycine 0 C--O 1.199 -2.061 0 N-CA-C 118.251 2.06 . . . . 0.0 118.251 -166.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.47 44.22 90.68 Favored Glycine 1 C--O 1.162 -4.347 0 CA-C-N 120.056 1.928 . . . . 0.0 113.979 169.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 66.8 m-85 -67.88 -47.71 68.11 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 127.584 2.354 . . . . 0.0 116.502 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.527 0 O-C-N 119.0 -2.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.926 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 54.6 11.07 0.4 Allowed 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.477 1.911 . . . . 0.0 114.936 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.0 -27.55 68.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 O-C-N 119.738 -1.851 . . . . 0.0 110.66 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.35 -6.83 48.65 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 128.212 2.605 . . . . 0.0 114.672 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.84 21.07 2.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 -166.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.16 -47.79 3.36 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.208 1.003 . . . . 0.0 111.594 148.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.97 78.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.389 2.275 . . . . 0.0 113.25 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.75 78.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.295 1.045 . . . . 0.0 110.703 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.78 -43.11 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 C-N-CA 123.72 0.808 . . . . 0.0 109.902 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.97 -21.71 60.81 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.565 1.146 . . . . 0.0 112.846 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.79 -66.83 0.5 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.166 0.986 . . . . 0.0 112.382 157.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.73 -48.44 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.004 -167.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.97 11.72 1.03 Allowed 'General case' 0 C--O 1.191 -2.004 0 CA-C-N 120.554 1.525 . . . . 0.0 114.845 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.26 -41.56 5.51 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.951 2.1 . . . . 0.0 113.822 157.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.61 -39.61 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 127.374 2.269 . . . . 0.0 112.014 173.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.409 ' HA ' ' CE1' ' B' ' 43' ' ' PHE . 4.0 mm -44.4 -60.93 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 C-N-CA 131.09 3.756 . . . . 0.0 111.374 167.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.08 -37.67 84.38 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 128.931 2.892 . . . . 0.0 111.521 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.91 -37.91 61.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.559 2.344 . . . . 0.0 112.803 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -58.74 11.49 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 124.563 1.078 . . . . 0.0 112.712 168.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.9 17.11 9.9 Favored Glycine 0 C--O 1.196 -2.263 0 C-N-CA 126.429 1.966 . . . . 0.0 114.344 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CE1' ' HA ' ' B' ' 38' ' ' ILE . 0.0 OUTLIER -102.97 -5.38 23.5 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 126.561 1.945 . . . . 0.0 114.005 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.739 0 O-C-N 119.225 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 4.81 0.41 Allowed 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.997 1.719 . . . . 0.0 114.491 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -56.57 -35.33 68.06 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 119.927 -1.733 . . . . 0.0 113.896 157.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.23 19.04 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 128.464 2.705 . . . . 0.0 115.478 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.97 51.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 120.722 -1.236 . . . . 0.0 114.185 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -12.19 22.26 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 120.616 1.553 . . . . 0.0 113.992 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.95 -45.68 10.03 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.3 -2.125 . . . . 0.0 115.487 162.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.17 66.44 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.109 -1.619 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.36 -42.24 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.007 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.68 -36.13 80.12 Favored 'General case' 0 C--O 1.194 -1.837 0 C-N-CA 124.685 1.194 . . . . 0.0 113.443 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.96 -7.46 53.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.253 0.3 OUTLIER -108.6 -60.58 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.89 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -8.76 57.18 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 122.799 2.545 . . . . 0.0 115.502 -164.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.66 -28.74 19.27 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 123.804 0.842 . . . . 0.0 113.233 164.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.61 -40.55 28.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 128.761 2.824 . . . . 0.0 110.989 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.48 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 29.2 mm -33.44 -57.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 128.74 2.816 . . . . 0.0 112.241 164.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -71.79 -40.3 69.32 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 127.992 2.517 . . . . 0.0 112.587 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.44 78.7 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 125.646 1.579 . . . . 0.0 112.078 172.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.49 -54.01 8.07 Favored Glycine 0 C--O 1.215 -1.068 0 O-C-N 124.167 0.917 . . . . 0.0 112.655 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.29 30.35 5.99 Favored Glycine 0 C--O 1.189 -2.667 0 C-N-CA 127.459 2.457 . . . . 0.0 112.845 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.48 ' CE1' ' HA ' ' C' ' 60' ' ' ILE 0.299 0.1 OUTLIER -106.09 -15.75 14.8 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 120.649 2.224 . . . . 0.0 115.591 -173.257 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 117.848 0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.992 ' H3 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.211 -0.944 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.69 -0.79 0.69 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -55.05 -26.29 36.51 Favored 'General case' 0 C--O 1.212 -0.918 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 166.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.54 52.82 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 128.371 2.669 . . . . 0.0 114.788 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.9 81.67 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -163.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.34 71.19 Favored 'General case' 1 C--O 1.117 -5.903 0 O-C-N 119.922 -1.736 . . . . 0.0 112.782 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.5 -38.42 71.17 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 117.843 -3.036 . . . . 0.0 113.656 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.88 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.48 1.512 . . . . 0.0 110.046 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.6 mm -72.28 -37.66 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.244 1.818 . . . . 0.0 110.644 -173.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -73.8 -21.35 60.18 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.81 0.78 Allowed 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 119.205 0.911 . . . . 0.0 110.496 155.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -42.19 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 120.471 -1.393 . . . . 0.0 112.959 -165.005 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.87 73.21 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.82 -29.92 29.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.968 1.366 . . . . 0.0 111.965 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.94 -39.07 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 119.474 -2.016 . . . . 0.0 108.649 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.408 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 23.6 mt -51.8 -52.68 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 125.561 1.544 . . . . 0.0 112.454 165.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.63 -26.98 57.42 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -49.31 9.71 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.999 1.72 . . . . 0.0 112.712 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.76 92.71 Favored Glycine 0 C--O 1.203 -1.783 0 C-N-CA 126.23 1.872 . . . . 0.0 114.83 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.47 40.03 10.35 Favored Glycine 0 C--O 1.19 -2.655 0 C-N-CA 126.434 1.968 . . . . 0.0 112.138 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.408 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 75.4 m-85 -56.57 -31.38 64.16 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 126.9 2.08 . . . . 0.0 114.468 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.951 0 O-C-N 119.072 -2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.99 ' H1 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.209 -1.048 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.45 9.8 0.18 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 127.625 2.37 . . . . 0.0 114.632 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -63.52 -28.78 70.18 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.866 1.666 . . . . 0.0 111.884 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -11.67 61.05 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.125 2.97 . . . . 0.0 114.916 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 12.44 10.68 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -166.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.07 -54.35 3.76 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 119.512 -1.992 . . . . 0.0 110.622 146.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.8 67.79 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.758 1.623 . . . . 0.0 114.298 -173.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.24 61.02 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.24 1.019 . . . . 0.0 110.364 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.987 HD13 ' CG1' ' A' ' 9' ' ' ILE . 14.4 mm -66.51 -43.54 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.542 1.537 . . . . 0.0 111.709 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -67.49 -27.41 66.98 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 124.823 1.249 . . . . 0.0 114.282 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.4 -64.71 0.81 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 118.453 0.57 . . . . 0.0 111.176 157.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -43.18 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-O 116.224 -1.846 . . . . 0.0 112.745 -163.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.94 73.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 122.706 2.503 . . . . 0.0 113.952 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.63 58.39 Favored 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 124.263 1.025 . . . . 0.0 113.22 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -66.75 -44.1 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 126.194 1.798 . . . . 0.0 111.329 170.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.422 HG12 ' CD1' ' A' ' 21' ' ' PHE . 46.2 mt -55.55 -41.31 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.618 2.367 . . . . 0.0 113.715 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -60.82 -27.84 68.35 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 124.914 1.286 . . . . 0.0 112.928 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.71 -41.78 14.83 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 124.17 0.988 . . . . 0.0 111.956 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.46 -48.5 36.58 Favored Glycine 0 N--CA 1.436 -1.352 0 O-C-N 120.549 -1.345 . . . . 0.0 116.452 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 28.91 47.83 Favored Glycine 0 C--O 1.197 -2.171 0 C-N-CA 126.834 2.159 . . . . 0.0 117.387 -171.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CD1' HG12 ' A' ' 16' ' ' ILE . 74.2 m-85 -41.87 -62.67 0.86 Allowed 'General case' 0 C--O 1.182 -2.485 0 C-N-CA 128.54 2.736 . . . . 0.0 114.835 -174.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.89 0 O-C-N 120.253 -1.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.949 ' H2 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.213 -0.849 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.9 88.63 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 127.428 2.291 . . . . 0.0 114.024 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -126.34 -9.56 6.36 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 126.975 2.11 . . . . 0.0 113.855 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 -1.55 16.4 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.343 1.457 . . . . 0.0 114.211 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.43 ' O ' HG12 ' B' ' 31' ' ' ILE . . . -57.08 -55.49 34.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.903 -1.123 . . . . 0.0 112.412 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.29 63.6 Favored 'General case' 0 C--O 1.164 -3.402 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.43 78.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 -47.88 16.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.698 1.599 . . . . 0.0 112.588 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.43 HG12 ' O ' ' B' ' 27' ' ' ALA . 13.6 mm -59.99 -50.04 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 O-C-N 121.743 -0.598 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.94 -29.16 68.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 124.729 1.212 . . . . 0.0 113.262 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.81 -2.04 57.84 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 113.654 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -56.92 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-O 115.136 -2.364 . . . . 0.0 111.675 172.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.68 91.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 123.617 2.917 . . . . 0.0 113.033 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.93 64.51 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.4 -41.94 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.341 1.856 . . . . 0.0 111.977 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -56.51 -43.96 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 125.8 1.64 . . . . 0.0 112.419 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -55.48 -26.58 43.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.205 1.402 . . . . 0.0 114.519 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -35.62 11.03 Favored 'General case' 1 C--O 1.145 -4.404 0 C-N-CA 125.235 1.414 . . . . 0.0 114.419 167.215 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.92 -13.81 58.68 Favored Glycine 0 C--N 1.294 -1.795 0 O-C-N 118.28 -2.763 . . . . 0.0 117.367 -166.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.9 52.9 47.14 Favored Glycine 0 C--O 1.178 -3.366 0 CA-C-N 121.219 2.509 . . . . 0.0 114.754 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.87 -57.28 4.18 Favored 'General case' 0 C--O 1.198 -1.638 0 C-N-CA 127.134 2.174 . . . . 0.0 112.911 -162.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.509 0 O-C-N 119.104 -2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 0.984 ' H1 ' ' CH3' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.204 -1.31 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -2.8 2.73 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -45.04 -38.35 4.82 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-N 120.669 1.577 . . . . 0.0 113.417 157.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.36 -5.1 51.23 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 128.562 2.745 . . . . 0.0 114.633 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -48.88 73.83 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.001 -1.687 . . . . 0.0 115.343 -167.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.89 70.79 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 120.943 1.701 . . . . 0.0 112.194 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.18 76.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.548 1.539 . . . . 0.0 114.773 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.6 17.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.348 1.547 . . . . 0.0 112.55 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.92 -33.78 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.361 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -67.14 -24.83 65.95 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 118.061 -0.971 . . . . 0.0 113.018 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.83 -64.49 0.88 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 118.386 0.539 . . . . 0.0 111.48 159.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -37.87 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -167.593 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.82 61.69 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.2 34.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.9 1.68 . . . . 0.0 112.58 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.45 -40.38 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 125.692 1.597 . . . . 0.0 108.758 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.511 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 32.9 mt -51.15 -50.38 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.124 1.77 . . . . 0.0 114.672 167.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -61.78 -25.95 67.78 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.72 -49.51 10.36 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.662 1.185 . . . . 0.0 113.125 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.31 -38.62 93.84 Favored Glycine 0 C--O 1.208 -1.469 0 O-C-N 120.653 -1.279 . . . . 0.0 115.565 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.67 42.16 9.28 Favored Glycine 0 C--O 1.188 -2.732 0 C-N-CA 124.901 1.238 . . . . 0.0 113.742 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.511 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 63.4 m-85 -62.48 -57.3 11.69 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 126.915 2.086 . . . . 0.0 112.154 -166.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.966 0 O-C-N 121.479 -0.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.856 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.52 -5.86 0.4 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.62 -28.25 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.14 -2.225 . . . . 0.0 114.196 162.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.53 -5.01 53.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 127.881 2.472 . . . . 0.0 115.597 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.92 61.32 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -159.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.57 87.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 120.338 1.426 . . . . 0.0 111.991 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.06 89.7 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.39 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.04 85.85 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.478 1.49 . . . . 0.0 112.672 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.95 -17.0 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.922 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.46 -19.62 62.95 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 118.451 0.569 . . . . 0.0 111.654 168.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.15 -68.55 0.38 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.091 0.956 . . . . 0.0 111.266 153.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -39.79 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 120.61 -1.306 . . . . 0.0 113.059 -160.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.59 67.41 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.92 -33.59 33.99 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 121.12 -0.987 . . . . 0.0 112.121 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.13 -43.18 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 126.016 1.726 . . . . 0.0 108.823 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.472 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 54.2 mt -49.69 -48.34 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 C-N-CA 126.631 1.972 . . . . 0.0 115.846 168.645 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.43 -30.45 68.49 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.545 1.138 . . . . 0.0 113.793 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.67 -50.78 10.12 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 124.654 1.182 . . . . 0.0 111.123 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.9 -35.74 80.07 Favored Glycine 0 C--O 1.21 -1.398 0 CA-C-N 120.32 1.418 . . . . 0.0 116.191 -173.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.58 23.03 29.65 Favored Glycine 0 C--O 1.202 -1.859 0 C-N-CA 125.379 1.466 . . . . 0.0 115.261 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.472 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.7 m-85 -60.39 167.66 2.43 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 118.256 -2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.958 ' H3 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.33 59.77 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.005 1.322 . . . . 0.0 113.988 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.81 -18.18 60.99 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 125.335 1.454 . . . . 0.0 114.864 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.61 31.75 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 126.536 1.934 . . . . 0.0 113.447 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.44 70.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.78 77.46 Favored 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.41 69.21 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -82.85 -55.21 4.54 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.51 1.959 . . . . 0.0 112.863 170.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.81 -40.54 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 123.991 0.916 . . . . 0.0 109.922 -164.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.9 -22.35 62.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.96 -69.74 0.3 Allowed 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 157.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -36.55 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 O-C-N 121.373 -0.83 . . . . 0.0 113.095 -161.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.27 63.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.464 1.484 . . . . 0.0 114.29 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -33.06 22.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.516 1.126 . . . . 0.0 111.832 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.32 -42.34 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 126.167 1.787 . . . . 0.0 109.144 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.488 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 16.7 mt -55.61 -47.18 79.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 CA-C-N 121.076 1.762 . . . . 0.0 113.396 169.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -58.94 -28.62 66.44 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.09 11.02 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 126.206 1.802 . . . . 0.0 112.669 171.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.4 90.25 Favored Glycine 0 C--O 1.205 -1.675 0 CA-C-N 120.338 1.426 . . . . 0.0 114.857 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 29.63 11.74 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 124.547 1.07 . . . . 0.0 114.466 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.488 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 32.7 m-85 -62.46 174.56 0.94 Allowed 'General case' 0 C--O 1.171 -3.041 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.025 0 O-C-N 118.527 -2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.938 ' H2 ' ' C ' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.213 -0.821 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -9.74 3.21 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -45.54 -32.8 2.42 Favored 'General case' 0 N--CA 1.438 -1.072 0 O-C-N 120.278 -1.514 . . . . 0.0 114.645 159.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.49 51.37 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.074 2.949 . . . . 0.0 114.705 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -60.87 3.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -166.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.41 54.22 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 118.983 0.81 . . . . 0.0 111.78 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.75 84.19 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.66 -46.02 33.81 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.86 -1.15 . . . . 0.0 112.605 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.27 -37.47 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.663 -172.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.24 -40.46 90.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 121.832 -0.543 . . . . 0.0 112.02 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -2.72 9.64 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.284 20.8 tt -117.86 -50.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 120.466 -1.396 . . . . 0.0 112.295 165.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.96 69.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 121.977 2.171 . . . . 0.0 114.61 -169.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.4 -21.95 38.62 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-O 122.442 1.115 . . . . 0.0 113.718 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.29 -39.55 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 126.826 2.05 . . . . 0.0 108.87 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 28.1 mt -53.37 -48.67 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 126.23 1.812 . . . . 0.0 112.031 170.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -51.95 -28.77 17.76 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.373 1.869 . . . . 0.0 114.623 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.52 -48.36 7.99 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 124.292 1.037 . . . . 0.0 113.583 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.94 97.57 Favored Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 126.399 1.952 . . . . 0.0 114.891 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.98 52.98 16.42 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-N 121.251 2.526 . . . . 0.0 112.802 -174.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -71.3 -56.91 5.07 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 127.608 2.363 . . . . 0.0 113.283 -173.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.521 -1.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 1.007 ' H3 ' ' C ' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.219 -0.54 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.08 1.25 2.89 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -46.78 -35.78 6.58 Favored 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.502 157.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.75 -4.55 59.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.191 2.197 . . . . 0.0 114.313 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.95 59.49 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.68 -36.58 72.13 Favored 'General case' 1 C--O 1.149 -4.194 0 CA-C-N 120.683 1.583 . . . . 0.0 112.41 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.69 75.39 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 118.904 -2.373 . . . . 0.0 115.398 170.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.09 64.63 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.577 1.655 . . . . 0.0 112.099 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 mm -80.14 -36.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 113.032 -1.894 . . . . 0.0 110.316 -170.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -65.91 -23.71 66.69 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.79 -67.74 0.4 Allowed 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 119.545 1.066 . . . . 0.0 110.846 156.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . 1.429 HD11 ' CG1' ' C' ' 56' ' ' ILE . 0.0 OUTLIER -64.66 -40.79 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-O 117.859 -1.067 . . . . 0.0 112.752 -163.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.76 65.65 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 121.867 2.122 . . . . 0.0 114.466 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.4 32.67 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.798 1.639 . . . . 0.0 111.728 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.56 -40.69 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 126.298 1.839 . . . . 0.0 109.016 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.405 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 41.1 mt -54.91 -51.18 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 127.004 2.122 . . . . 0.0 113.836 168.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.36 -26.87 54.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.402 1.481 . . . . 0.0 112.585 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.57 13.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.657 1.583 . . . . 0.0 113.807 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.01 -52.02 9.55 Favored Glycine 0 C--O 1.204 -1.738 0 O-C-N 120.474 -1.391 . . . . 0.0 115.374 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 38.99 6.2 Favored Glycine 0 C--O 1.177 -3.409 0 C-N-CA 124.285 0.945 . . . . 0.0 113.884 -173.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.405 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 71.8 m-85 -57.1 -51.71 68.2 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 128.952 2.901 . . . . 0.0 115.841 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.151 0 O-C-N 121.314 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.972 ' H1 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.211 -0.936 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.7 4.23 0.43 Allowed 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 126.059 1.744 . . . . 0.0 114.478 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -47.51 -39.06 15.2 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 124.86 1.264 . . . . 0.0 113.608 160.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.96 -0.72 28.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 129.569 3.148 . . . . 0.0 115.472 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.32 7.1 20.47 Favored 'General case' 0 C--O 1.202 -1.443 0 O-C-N 118.401 -2.687 . . . . 0.0 114.886 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.51 -58.04 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 121.351 1.887 . . . . 0.0 109.956 149.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.71 70.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.988 1.315 . . . . 0.0 114.03 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -74.84 -42.27 58.29 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 120.409 -1.432 . . . . 0.0 112.218 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 14.9 mm -70.26 -42.49 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 124.761 1.224 . . . . 0.0 110.674 -178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.47 -23.59 61.07 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.742 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.56 -68.4 0.36 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 119.643 1.111 . . . . 0.0 109.922 156.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -39.27 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 O-C-N 120.021 -1.674 . . . . 0.0 112.842 -158.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.41 73.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 120.155 1.343 . . . . 0.0 113.599 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.839 2.055 . . . . 0.0 113.019 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.57 -43.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 125.655 1.582 . . . . 0.0 110.124 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 37.8 mt -55.69 -47.41 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.99 -29.01 4.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.441 1.496 . . . . 0.0 114.169 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -44.11 9.68 Favored 'General case' 0 C--O 1.201 -1.456 0 C-N-CA 126.675 1.99 . . . . 0.0 113.603 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -40.39 82.14 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 125.319 1.438 . . . . 0.0 114.988 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.25 24.41 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 119.852 1.826 . . . . 0.0 115.25 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -62.6 -55.07 30.53 Favored 'General case' 0 C--O 1.2 -1.522 0 C-N-CA 126.536 1.934 . . . . 0.0 115.177 -173.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.275 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.286 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.65 7.63 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 126.508 1.923 . . . . 0.0 115.126 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.33 -25.84 66.1 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.568 -1.958 . . . . 0.0 112.953 168.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.99 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 114.259 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.74 34.05 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -154.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.96 66.9 Favored 'General case' 1 C--O 1.133 -5.058 0 O-C-N 121.172 -0.955 . . . . 0.0 112.861 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.58 -37.51 31.14 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 122.641 2.473 . . . . 0.0 113.299 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.9 -41.85 28.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.383 1.563 . . . . 0.0 111.388 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 8.0 mm -74.77 -40.44 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 110.987 -179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.16 -26.17 62.87 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.62 -61.41 2.1 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.694 0.797 . . . . 0.0 111.291 161.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.265 0.4 OUTLIER -61.68 -41.11 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 O-C-N 120.858 -1.151 . . . . 0.0 111.603 -171.116 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.23 75.2 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 113.567 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.41 -35.14 54.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.292 -2.13 . . . . 0.0 111.324 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.18 -38.77 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 C-N-CA 126.7 2.0 . . . . 0.0 108.929 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.449 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 68.0 mt -55.42 -50.94 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 113.402 166.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -57.76 -29.04 64.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.174 0.989 . . . . 0.0 111.66 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -47.04 14.4 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 120.082 -1.636 . . . . 0.0 113.404 169.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.08 -16.61 59.09 Favored Glycine 0 C--O 1.185 -2.928 0 CA-C-O 117.827 -1.541 . . . . 0.0 116.73 -162.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 62.27 5.0 Favored Glycine 0 C--O 1.199 -2.035 0 CA-C-N 122.077 2.939 . . . . 0.0 112.865 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.449 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 11.2 m-85 -76.59 -35.09 58.35 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -168.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.613 0 O-C-N 121.755 -0.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.985 ' H2 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.224 -0.264 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 52.94 12.73 0.3 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.686 1.994 . . . . 0.0 115.874 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -67.38 -25.84 66.16 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.735 1.614 . . . . 0.0 111.676 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 -12.76 60.64 Favored 'General case' 0 C--O 1.208 -1.099 0 C-N-CA 126.533 1.933 . . . . 0.0 114.38 170.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.54 61.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.74 76.47 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 121.018 1.736 . . . . 0.0 112.333 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -24.77 67.91 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.15 8.03 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 120.545 1.52 . . . . 0.0 111.97 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 mm -75.8 -36.58 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 125.097 1.359 . . . . 0.0 110.757 -173.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -67.06 -28.62 68.35 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.111 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 -56.59 8.2 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.76 163.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -39.03 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 120.113 1.324 . . . . 0.0 111.682 -168.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.61 69.19 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 120.146 1.339 . . . . 0.0 113.898 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.61 -37.72 62.76 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 119.508 1.049 . . . . 0.0 111.795 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.68 -46.88 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.736 2.014 . . . . 0.0 109.818 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.51 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 66.4 mt -52.36 -50.93 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 O-C-N 118.168 -2.833 . . . . 0.0 113.343 168.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.65 -26.15 61.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.641 1.176 . . . . 0.0 114.163 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.96 -42.16 12.65 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 125.593 1.557 . . . . 0.0 114.107 168.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.94 -9.9 58.0 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 127.381 2.42 . . . . 0.0 116.764 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.97 57.87 14.16 Favored Glycine 0 C--O 1.21 -1.374 0 CA-C-N 120.869 2.335 . . . . 0.0 113.527 167.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.51 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 10.3 m-85 -69.46 -51.59 34.67 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 120.798 -1.413 . . . . 0.0 113.19 -166.376 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 119.22 -2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 3.28 0.58 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -58.6 -34.31 70.97 Favored 'General case' 0 C--O 1.194 -1.83 0 C-N-CA 125.699 1.6 . . . . 0.0 113.408 162.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.62 66.06 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 127.08 2.152 . . . . 0.0 113.688 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . 0.457 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . . . -79.47 1.28 26.18 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -176.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.11 -59.18 1.78 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 124.081 0.952 . . . . 0.0 111.426 148.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.06 75.42 Favored 'General case' 0 C--O 1.208 -1.089 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -168.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.48 -41.23 40.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 109.884 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 8.8 mm -63.06 -44.96 99.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 123.043 0.537 . . . . 0.0 109.817 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -68.32 -26.92 65.86 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.323 1.449 . . . . 0.0 113.897 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -57.38 4.58 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.12 1.368 . . . . 0.0 110.885 161.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.262 1.7 mp -65.97 -35.01 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 O-C-N 120.201 -1.562 . . . . 0.0 112.84 -168.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.34 -29.56 69.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 119.759 -1.838 . . . . 0.0 114.092 173.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.87 -33.9 45.42 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.244 1.818 . . . . 0.0 112.01 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.9 mt -66.82 -45.99 86.42 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 C-N-CA 127.021 2.128 . . . . 0.0 108.112 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.44 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 59.9 mt -51.21 -48.12 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 O-C-N 118.505 -2.622 . . . . 0.0 114.996 167.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -58.12 -32.96 68.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.022 1.329 . . . . 0.0 112.391 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.74 -41.24 19.49 Favored 'General case' 0 C--O 1.192 -1.942 0 C-N-CA 126.284 1.834 . . . . 0.0 113.289 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.99 -9.35 59.65 Favored Glycine 0 N--CA 1.44 -1.082 0 CA-C-O 117.252 -1.86 . . . . 0.0 116.816 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.07 50.4 60.73 Favored Glycine 0 C--O 1.2 -2.0 0 CA-C-N 120.93 2.365 . . . . 0.0 114.147 164.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.44 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 17.0 m-85 -69.09 -40.19 78.56 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 126.85 2.06 . . . . 0.0 113.619 -168.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 O-C-N 118.369 -2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.964 ' H2 ' ' C ' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 52.01 10.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 127.631 2.372 . . . . 0.0 115.917 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . 1.335 ' HZ1' ' CE ' ' D' ' 69' ' ' LYS . 10.2 mmpt? -65.83 -25.96 67.45 Favored 'General case' 0 C--O 1.208 -1.086 0 C-N-CA 127.091 2.156 . . . . 0.0 112.221 170.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.8 -16.58 62.18 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 126.074 1.75 . . . . 0.0 113.602 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . 0.408 ' HA ' ' CE2' ' C' ' 65' ' ' PHE . . . -76.04 -43.91 41.65 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.622 -1.18 . . . . 0.0 114.145 -156.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.91 -52.45 60.53 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.421 1.464 . . . . 0.0 112.239 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.96 70.3 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 119.814 -1.804 . . . . 0.0 114.984 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.51 -48.77 16.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.174 0.99 . . . . 0.0 112.234 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.22 -34.38 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.714 1.606 . . . . 0.0 110.879 -169.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -73.1 -23.01 60.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.27 -59.42 3.02 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 118.074 0.397 . . . . 0.0 110.6 159.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -38.49 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 117.693 -1.146 . . . . 0.0 111.713 -165.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -26.72 65.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 120.596 1.544 . . . . 0.0 114.281 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.73 -31.91 41.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.588 -1.32 . . . . 0.0 111.402 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . 1.006 HG23 ' CB ' ' D' ' 81' ' ' ILE . 65.9 mt -71.72 -42.18 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 125.055 1.342 . . . . 0.0 109.054 174.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 77.7 mt -54.36 -43.71 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 C-N-CA 126.128 1.771 . . . . 0.0 114.181 168.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.09 -44.2 20.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.707 1.603 . . . . 0.0 112.624 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.15 11.63 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 117.373 -1.793 . . . . 0.0 116.638 -166.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.21 61.22 4.66 Favored Glycine 0 C--O 1.192 -2.508 0 CA-C-N 119.732 1.766 . . . . 0.0 111.434 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.457 ' CE2' ' HA ' ' C' ' 49' ' ' ALA . 6.2 m-85 -66.51 -36.11 81.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.725 2.01 . . . . 0.0 113.886 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.644 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.453 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.93 5.79 0.21 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.536 1.135 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -57.01 -27.68 61.81 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 125.129 1.372 . . . . 0.0 113.28 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.06 -2.9 58.76 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.79 1.636 . . . . 0.0 115.179 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.517 ' O ' HG12 ' A' ' 9' ' ' ILE . . . -62.43 -44.75 95.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.645 -164.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -47.09 66.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 119.974 1.261 . . . . 0.0 112.41 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.43 -30.45 66.9 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 126.15 1.78 . . . . 0.0 114.828 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.11 -58.37 3.32 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 120.675 1.579 . . . . 0.0 109.193 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.112 HD13 ' CG1' ' A' ' 9' ' ' ILE . 16.6 mm -66.64 -39.79 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 123.54 0.736 . . . . 0.0 111.77 -164.071 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.87 -24.12 59.69 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.149 0.979 . . . . 0.0 111.823 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.45 -61.53 1.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.809 1.244 . . . . 0.0 110.687 161.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -51.77 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.409 -166.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.48 17.56 0.27 Allowed 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 121.175 1.807 . . . . 0.0 114.734 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 -37.36 4.05 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 127.555 2.342 . . . . 0.0 111.827 160.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.32 -37.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 126.272 1.829 . . . . 0.0 111.187 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.408 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -46.12 -57.84 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 128.964 2.906 . . . . 0.0 110.975 168.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 1.606 ' HZ2' ' CE ' ' A' ' 17' ' ' LYS . 49.0 mttt -69.5 -40.59 76.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 128.611 2.764 . . . . 0.0 112.468 -170.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.39 84.31 Favored 'General case' 0 C--O 1.203 -1.347 0 C-N-CA 126.987 2.115 . . . . 0.0 111.978 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.23 46.42 Favored Glycine 1 C--O 1.164 -4.221 0 C-N-CA 124.672 1.129 . . . . 0.0 114.161 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.62 11.37 64.1 Favored Glycine 0 C--O 1.185 -2.949 0 C-N-CA 126.275 1.893 . . . . 0.0 114.285 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.408 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.366 0.0 OUTLIER -99.43 -5.69 29.01 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 126.58 1.952 . . . . 0.0 114.893 -169.334 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.093 0 O-C-N 119.721 -1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.231 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.52 159.48 1.48 Allowed 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 130.247 3.419 . . . . 0.0 114.805 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -56.09 -10.19 0.78 Allowed 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.75 -19.92 0.07 Allowed 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 127.099 2.16 . . . . 0.0 115.153 154.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.38 -48.97 68.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 125.746 1.618 . . . . 0.0 112.521 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -7.17 9.38 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 120.279 -1.513 . . . . 0.0 114.922 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.6 -46.89 6.76 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.839 1.656 . . . . 0.0 112.469 162.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -47.07 54.69 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 119.202 -2.186 . . . . 0.0 110.647 -168.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.19 -44.71 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.831 1.252 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.65 -46.25 90.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.277 1.031 . . . . 0.0 111.58 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -6.85 14.4 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 115.664 1.728 . . . . 0.0 115.664 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.271 0.3 OUTLIER -117.01 -54.51 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.856 2.063 . . . . 0.0 113.008 173.317 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.23 67.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.785 2.084 . . . . 0.0 112.173 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.79 -30.29 45.43 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.961 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.91 -35.86 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 124.027 0.931 . . . . 0.0 109.465 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 60.9 mt -62.7 -41.47 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.448 1.899 . . . . 0.0 114.496 172.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -57.26 -31.13 65.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.94 1.296 . . . . 0.0 112.304 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.15 11.98 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.492 1.117 . . . . 0.0 113.427 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.86 -43.32 66.79 Favored Glycine 0 C--O 1.208 -1.469 0 C-N-CA 124.413 1.006 . . . . 0.0 114.203 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.8 42.39 Favored Glycine 0 C--O 1.196 -2.276 0 C-N-CA 125.015 1.293 . . . . 0.0 115.336 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -55.01 -53.67 52.85 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 126.76 2.024 . . . . 0.0 116.369 -167.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 O-C-N 120.867 -1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -1.71 0.73 Allowed 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.703 1.601 . . . . 0.0 114.825 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -48.48 -37.78 18.35 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 119.907 -1.745 . . . . 0.0 112.834 158.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.27 3.98 25.45 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 128.391 2.676 . . . . 0.0 115.194 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . 0.491 ' O ' HG12 ' C' ' 53' ' ' ILE . . . -64.79 -46.55 81.59 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -164.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.02 -38.96 58.69 Favored 'General case' 0 C--O 1.177 -2.728 0 CA-C-N 119.324 0.965 . . . . 0.0 112.681 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.55 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 120.586 -1.321 . . . . 0.0 113.77 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.96 -49.36 24.9 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 119.865 1.211 . . . . 0.0 112.057 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . 0.491 HG12 ' O ' ' C' ' 49' ' ' ALA . 36.2 mm -63.28 -44.55 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 123.999 0.812 . . . . 0.0 110.958 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -74.32 -20.69 60.02 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.23 -67.02 0.49 Allowed 'General case' 0 N--CA 1.446 -0.651 0 O-C-N 120.937 -1.102 . . . . 0.0 110.846 155.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.293 0.4 OUTLIER -61.31 -51.35 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 121.333 -0.854 . . . . 0.0 112.58 -166.025 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.17 21.07 0.61 Allowed 'General case' 0 N--CA 1.44 -0.949 0 O-C-N 119.493 -2.004 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.92 -44.86 3.0 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.808 2.043 . . . . 0.0 110.609 159.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -57.92 -36.99 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 125.513 1.525 . . . . 0.0 110.569 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.448 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 3.0 mm -46.61 -61.36 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 C-N-CA 126.306 1.842 . . . . 0.0 112.16 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -66.32 -37.03 84.44 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.475 2.71 . . . . 0.0 112.895 -169.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.13 71.28 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 126.227 1.811 . . . . 0.0 111.011 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.29 86.44 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 125.393 1.473 . . . . 0.0 115.503 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.21 7.83 30.1 Favored Glycine 0 C--O 1.202 -1.876 0 C-N-CA 126.187 1.851 . . . . 0.0 115.637 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.448 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 2.8 m-85 -63.2 -51.85 64.67 Favored 'General case' 0 C--O 1.193 -1.908 0 CA-C-N 119.482 1.641 . . . . 0.0 113.773 -173.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.161 0 O-C-N 118.784 -2.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.975 ' H3 ' ' C ' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.213 -0.863 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.77 16.83 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 126.734 2.014 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -92.33 -32.96 14.79 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 126.647 1.979 . . . . 0.0 113.85 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.43 64.5 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.972 1.709 . . . . 0.0 112.262 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.92 9.08 1.26 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.919 1.688 . . . . 0.0 114.76 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.85 -56.26 2.72 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.259 -1.526 . . . . 0.0 110.644 149.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.24 69.63 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.43 76.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.783 1.278 . . . . 0.0 111.007 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.7 -43.57 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 124.677 1.191 . . . . 0.0 110.521 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.0 -16.48 53.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.33 -72.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 122.067 0.937 . . . . 0.0 111.304 149.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -37.72 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 O-C-N 119.912 -1.743 . . . . 0.0 112.642 -155.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.65 64.87 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 121.053 1.751 . . . . 0.0 113.907 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.21 -35.96 40.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.91 1.284 . . . . 0.0 111.388 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.02 -41.3 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 127.054 2.142 . . . . 0.0 109.302 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.481 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 40.9 mt -52.69 -52.0 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.069 2.148 . . . . 0.0 114.205 166.381 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -59.31 -26.29 64.87 Favored 'General case' 0 C--O 1.209 -1.078 0 C-N-CA 125.331 1.452 . . . . 0.0 113.518 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.0 -41.67 17.03 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.6 1.16 . . . . 0.0 112.979 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -44.22 31.2 Favored Glycine 0 C--O 1.196 -2.251 0 C-N-CA 124.638 1.113 . . . . 0.0 114.196 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.64 24.92 16.69 Favored Glycine 0 C--O 1.209 -1.441 0 C-N-CA 125.032 1.301 . . . . 0.0 114.338 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.481 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 14.4 m-85 -63.56 166.45 6.76 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 123.539 1.637 . . . . 0.0 113.109 174.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 O-C-N 118.543 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.73 -0.72 0.31 Allowed 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -49.32 -32.1 10.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 163.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.86 -2.72 41.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.667 1.987 . . . . 0.0 115.91 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.53 20.04 4.19 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 118.801 -2.437 . . . . 0.0 114.861 -168.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.96 -52.04 3.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 120.502 -1.374 . . . . 0.0 109.662 146.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.22 70.2 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 114.684 -172.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.85 69.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.698 1.713 . . . . 0.0 111.837 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.43 -39.43 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.696 -169.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.97 -22.0 61.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.022 1.729 . . . . 0.0 112.467 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 -64.34 0.93 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.381 0.672 . . . . 0.0 111.297 156.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.9 tt -65.05 -41.19 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -163.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.5 -30.38 71.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 119.813 1.188 . . . . 0.0 113.205 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.41 52.43 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.735 1.214 . . . . 0.0 112.714 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.54 -39.31 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.63 1.572 . . . . 0.0 109.267 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.422 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 46.3 mt -58.48 -45.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 127.207 2.203 . . . . 0.0 112.924 169.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -59.61 -24.36 63.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 114.415 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -49.04 8.61 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 125.126 1.37 . . . . 0.0 111.866 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -42.83 93.18 Favored Glycine 0 C--O 1.199 -2.059 0 CA-C-N 119.599 1.09 . . . . 0.0 115.21 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.65 39.42 48.93 Favored Glycine 0 C--O 1.203 -1.821 0 CA-C-N 119.829 1.815 . . . . 0.0 113.301 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 79.5 m-85 -54.89 -55.44 30.51 Favored 'General case' 0 C--O 1.19 -2.042 0 C-N-CA 126.087 1.755 . . . . 0.0 114.953 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.624 0 O-C-N 119.253 -2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.949 ' H3 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -3.63 1.69 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.301 1.041 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -52.65 -33.17 45.74 Favored 'General case' 0 C--O 1.189 -2.129 0 O-C-N 120.783 -1.198 . . . . 0.0 113.891 160.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.39 -5.73 59.28 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 128.328 2.651 . . . . 0.0 114.621 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.64 43.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.132 -161.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -36.45 33.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.868 1.667 . . . . 0.0 112.791 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.85 97.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 119.887 -1.758 . . . . 0.0 112.564 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.68 64.01 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.127 0.971 . . . . 0.0 111.454 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.11 -50.89 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 122.869 0.468 . . . . 0.0 111.052 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.23 -40.77 91.39 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.36 -4.17 31.74 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.27 0.3 OUTLIER -121.54 -52.37 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 177.429 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.63 67.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 122.078 2.217 . . . . 0.0 112.402 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.0 -26.66 43.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.494 -1.379 . . . . 0.0 110.732 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.63 -39.55 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 119.789 -1.819 . . . . 0.0 109.151 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.03 -45.65 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 124.936 1.294 . . . . 0.0 113.667 167.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.669 1.188 . . . . 0.0 112.609 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 -46.81 13.52 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 124.934 1.293 . . . . 0.0 113.927 167.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.52 -54.68 11.88 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 126.149 1.833 . . . . 0.0 112.847 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.86 50.75 6.24 Favored Glycine 0 N--CA 1.441 -1.028 0 O-C-N 120.483 -1.598 . . . . 0.0 112.306 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -57.49 -56.89 15.97 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 127.931 2.493 . . . . 0.0 113.168 -168.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.677 0 O-C-N 121.024 -1.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . 0.968 ' H3 ' ' CH3' ' C' ' 45' ' ' ACE . . . . . . . . 0 C--O 1.205 -1.239 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.87 -6.92 6.69 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -56.34 -27.59 56.37 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.048 1.339 . . . . 0.0 114.208 162.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.45 -4.99 55.83 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.346 1.858 . . . . 0.0 114.639 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.86 87.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.825 -1.172 . . . . 0.0 112.919 -169.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.79 -19.94 63.06 Favored 'General case' 0 C--O 1.163 -3.477 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -46.11 20.78 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 127.39 2.276 . . . . 0.0 114.451 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.08 23.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 123.601 1.667 . . . . 0.0 111.045 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 29.5 mm -69.83 -43.93 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.271 -176.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -71.59 -18.99 62.19 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -68.26 0.39 Allowed 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.218 0.532 . . . . 0.0 110.991 156.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -41.65 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.494 -160.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.8 66.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.52 24.47 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.643 0.777 . . . . 0.0 112.108 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.81 -41.37 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.907 1.683 . . . . 0.0 109.428 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.467 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 25.2 mt -53.73 -46.16 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 125.943 1.697 . . . . 0.0 114.919 168.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -30.15 71.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.625 0.578 . . . . 0.0 112.222 177.139 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.19 30.64 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 124.644 1.178 . . . . 0.0 113.32 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.69 -52.15 48.11 Favored Glycine 0 C--O 1.186 -2.845 0 C-N-CA 124.828 1.204 . . . . 0.0 115.502 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.97 10.72 Favored Glycine 0 C--O 1.206 -1.607 0 C-N-CA 126.15 1.834 . . . . 0.0 114.827 -172.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 87.3 m-85 -59.21 -56.66 19.36 Favored 'General case' 0 C--O 1.193 -1.876 0 C-N-CA 126.249 1.819 . . . . 0.0 113.452 -171.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.974 ' H2 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.213 -0.817 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.89 -1.92 0.34 Allowed 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -52.59 -33.12 44.68 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 125.454 1.502 . . . . 0.0 113.48 159.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.32 -3.43 55.33 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.726 2.81 . . . . 0.0 114.237 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.1 15.37 2.86 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 -170.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.88 -54.07 3.32 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.847 -1.783 . . . . 0.0 110.153 148.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.26 -43.56 64.45 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.92 79.67 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 123.4 1.572 . . . . 0.0 111.328 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 9.2 mm -75.93 -41.42 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.321 -1.308 . . . . 0.0 111.253 -176.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -72.58 -23.78 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.948 -1.095 . . . . 0.0 112.545 -176.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.31 -74.85 0.07 Allowed 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.634 0.73 . . . . 0.0 110.647 152.051 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 tt -68.47 -39.28 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 O-C-N 120.306 -1.496 . . . . 0.0 112.28 -152.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.27 66.38 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 119.98 1.264 . . . . 0.0 113.753 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.09 -36.17 55.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.933 1.293 . . . . 0.0 112.257 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.36 -41.52 80.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 111.349 172.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.459 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 31.7 mt -55.28 -47.35 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 125.478 1.511 . . . . 0.0 114.015 169.033 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -57.87 -28.47 64.19 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.443 1.097 . . . . 0.0 111.914 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.82 14.51 Favored 'General case' 0 C--O 1.196 -1.727 0 C-N-CA 126.158 1.783 . . . . 0.0 112.575 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.69 -38.28 57.12 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 127.073 2.273 . . . . 0.0 116.654 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.98 36.55 40.98 Favored Glycine 0 C--O 1.201 -1.914 0 CA-C-N 120.411 2.106 . . . . 0.0 115.53 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.459 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 57.3 m-85 -52.68 -53.34 48.78 Favored 'General case' 0 C--O 1.188 -2.169 0 C-N-CA 128.624 2.769 . . . . 0.0 115.694 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.225 0 O-C-N 118.968 -2.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.675 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.71 -129.04 2.34 Favored 'General case' 0 N--CA 1.437 -1.104 1 C-N-CA 132.11 4.164 . . . . 0.0 115.447 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.85 -36.66 83.97 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -161.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.4 -3.54 37.58 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 126.198 1.799 . . . . 0.0 115.381 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -53.71 47.98 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -168.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.07 76.35 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 121.768 2.076 . . . . 0.0 112.572 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -39.92 68.27 Favored 'General case' 0 C--O 1.209 -1.032 0 C-N-CA 126.189 1.795 . . . . 0.0 113.261 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.01 -49.63 11.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 123.712 1.72 . . . . 0.0 111.815 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mm -75.8 -32.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.968 1.307 . . . . 0.0 111.129 -165.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -61.28 -41.11 96.39 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 118.693 0.678 . . . . 0.0 110.819 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.96 12.64 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.902 2.081 . . . . 0.0 114.348 174.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -49.99 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 126.166 1.786 . . . . 0.0 112.123 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.27 85.13 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 121.391 1.905 . . . . 0.0 113.465 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.11 61.29 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 124.604 1.161 . . . . 0.0 112.544 174.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.8 mp -85.05 -38.75 13.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 125.571 1.549 . . . . 0.0 110.969 175.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.27 -46.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 126.909 2.083 . . . . 0.0 112.646 165.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -53.38 -29.46 34.74 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 127.576 2.35 . . . . 0.0 111.659 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.44 -51.82 5.51 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.951 1.705 . . . . 0.0 112.753 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.49 -49.68 54.65 Favored Glycine 0 C--O 1.199 -2.072 0 C-N-CA 125.316 1.436 . . . . 0.0 115.731 -171.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.72 2.68 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 126.011 1.767 . . . . 0.0 113.234 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -65.15 -48.38 73.72 Favored 'General case' 0 C--O 1.205 -1.265 0 C-N-CA 128.15 2.58 . . . . 0.0 114.799 -163.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.046 0 O-C-N 120.309 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.934 ' H2 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.216 -0.704 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 4.84 0.75 Allowed 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -56.31 -28.25 58.23 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 164.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -8.19 57.34 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 128.116 2.566 . . . . 0.0 114.611 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.83 -43.37 58.95 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -161.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.0 70.31 Favored 'General case' 0 C--O 1.168 -3.231 0 CA-C-N 119.3 0.954 . . . . 0.0 112.161 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.03 67.46 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 119.63 -1.919 . . . . 0.0 112.296 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.98 -45.45 57.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.568 -1.958 . . . . 0.0 111.73 -171.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 10.3 mm -76.72 -30.86 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.734 1.614 . . . . 0.0 110.538 -173.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -62.36 -40.82 97.65 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 118.366 0.53 . . . . 0.0 112.029 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.91 26.86 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 127.745 2.418 . . . . 0.0 116.066 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -108.72 -50.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 126.944 2.098 . . . . 0.0 113.87 171.461 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.75 80.83 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 121.762 2.074 . . . . 0.0 113.201 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.24 61.7 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 125.137 1.375 . . . . 0.0 113.281 174.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.15 -36.71 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 126.056 1.743 . . . . 0.0 110.001 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 70.2 mt -50.05 -44.39 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 119.255 -2.153 . . . . 0.0 113.311 163.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -56.25 -28.58 59.02 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.533 1.533 . . . . 0.0 111.566 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.24 -38.7 12.52 Favored 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 125.894 1.678 . . . . 0.0 114.244 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 -24.37 61.76 Favored Glycine 0 C--O 1.2 -2.012 0 C-N-CA 126.275 1.893 . . . . 0.0 116.176 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.57 39.43 68.01 Favored Glycine 0 C--O 1.2 -1.988 0 CA-C-N 120.068 1.934 . . . . 0.0 115.085 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -62.72 -58.13 8.55 Favored 'General case' 0 C--O 1.204 -1.294 0 C-N-CA 126.641 1.976 . . . . 0.0 115.02 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 O-C-N 121.119 -0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.32 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.72 13.9 0.25 Allowed 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -71.0 -23.44 62.19 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 125.832 1.653 . . . . 0.0 110.578 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.53 -16.63 60.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.52 2.328 . . . . 0.0 114.464 171.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.56 -46.14 27.6 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 -154.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.77 -50.84 71.08 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 119.862 1.21 . . . . 0.0 111.997 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.08 70.37 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 113.103 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.55 -55.54 11.31 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 119.833 -1.792 . . . . 0.0 110.328 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mt -82.88 -18.69 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.365 1.066 . . . . 0.0 112.88 -165.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.31 -19.74 65.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.098 -1.626 . . . . 0.0 113.734 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.1 -60.8 2.21 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.218 1.007 . . . . 0.0 111.744 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -67.11 -36.86 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 O-C-N 120.389 -1.445 . . . . 0.0 113.712 -163.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.22 67.3 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 119.207 -2.183 . . . . 0.0 115.285 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 -35.77 37.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.88 0.847 . . . . 0.0 110.663 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.0 -46.95 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 C-N-CA 127.351 2.261 . . . . 0.0 108.643 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.426 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 58.1 mt -53.48 -48.24 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 114.186 170.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -59.76 -26.61 65.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.03 10.47 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.339 -1.476 . . . . 0.0 113.816 166.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.54 -14.44 79.99 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 116.674 1.429 . . . . 0.0 116.674 -166.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.69 49.14 81.86 Favored Glycine 0 C--O 1.211 -1.298 0 CA-C-N 120.321 2.061 . . . . 0.0 114.086 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.426 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 12.4 m-85 -63.15 -39.69 95.41 Favored 'General case' 0 C--O 1.188 -2.141 0 C-N-CA 126.288 1.835 . . . . 0.0 114.283 -165.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 120.438 1.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.947 ' H1 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.21 -1.018 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 50.38 6.04 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.677 2.391 . . . . 0.0 116.588 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -65.35 -36.65 84.68 Favored 'General case' 0 C--O 1.206 -1.203 0 O-C-N 120.114 -1.616 . . . . 0.0 111.331 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -18.79 56.68 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.188 1.795 . . . . 0.0 115.314 167.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.74 12.92 5.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.907 -1.746 . . . . 0.0 114.522 -166.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.26 -58.18 2.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.119 1.368 . . . . 0.0 107.724 155.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.35 78.68 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.052 1.741 . . . . 0.0 113.969 -172.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.63 88.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.509 1.924 . . . . 0.0 109.895 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.0 mm -67.87 -42.54 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 126.211 1.805 . . . . 0.0 109.836 -178.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.77 -27.73 67.83 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.989 1.315 . . . . 0.0 113.782 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 -62.1 1.76 Allowed 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.524 1.129 . . . . 0.0 110.678 158.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -42.34 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -166.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.95 71.42 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 119.672 -1.893 . . . . 0.0 114.234 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -31.65 62.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 119.804 -1.81 . . . . 0.0 113.071 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.74 -42.01 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 126.899 2.08 . . . . 0.0 109.639 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.406 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 71.7 mt -57.64 -45.16 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 112.57 171.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -58.38 -25.59 62.23 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.985 1.314 . . . . 0.0 113.383 173.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.74 -44.85 10.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 120.714 -1.241 . . . . 0.0 114.041 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.34 -26.62 32.8 Favored Glycine 1 C--O 1.142 -5.647 0 CA-C-O 116.046 -2.53 . . . . 0.0 117.842 -166.073 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.25 62.08 4.41 Favored Glycine 0 C--O 1.203 -1.841 0 CA-C-N 123.486 3.643 . . . . 0.0 112.648 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.406 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.5 m-85 -76.61 -46.81 24.52 Favored 'General case' 0 C--O 1.176 -2.768 0 C-N-CA 128.091 2.556 . . . . 0.0 113.404 -169.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 119.041 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.95 ' H3 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.212 -0.919 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.03 3.06 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 127.517 2.327 . . . . 0.0 117.167 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.75 -32.45 69.25 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 126.887 2.075 . . . . 0.0 111.765 172.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 -10.7 56.96 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 128.026 2.531 . . . . 0.0 114.411 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.56 -55.34 28.23 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.37 -164.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.21 -43.19 42.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.68 72.93 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 125.468 1.507 . . . . 0.0 114.919 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.54 -40.43 35.0 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 119.872 1.215 . . . . 0.0 111.969 174.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 1.009 HG21 ' CB ' ' A' ' 9' ' ' ILE . 6.7 mm -64.68 -50.95 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 121.528 -0.732 . . . . 0.0 111.599 177.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -74.52 -18.0 60.67 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -76.97 0.06 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 118.121 0.418 . . . . 0.0 111.591 148.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -38.75 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 120.17 -1.581 . . . . 0.0 112.727 -157.086 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.39 64.34 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 121.498 1.954 . . . . 0.0 112.277 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.15 65.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.622 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.12 -40.66 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 125.064 1.346 . . . . 0.0 108.952 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.444 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 37.5 mt -54.51 -48.66 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 126.879 2.072 . . . . 0.0 112.912 168.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.8 -30.11 63.38 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 125.027 1.331 . . . . 0.0 112.956 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.63 -41.65 17.57 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 125.664 1.586 . . . . 0.0 114.678 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.09 49.14 Favored Glycine 0 C--O 1.205 -1.707 0 C-N-CA 125.944 1.735 . . . . 0.0 113.956 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.97 26.5 12.5 Favored Glycine 0 C--O 1.214 -1.137 0 C-N-CA 126.049 1.785 . . . . 0.0 114.483 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.444 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 27.1 m-85 -66.15 175.05 2.25 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 126.658 1.983 . . . . 0.0 113.872 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.113 0 O-C-N 117.892 -3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . 0.952 ' H3 ' ' CH3' ' B' ' 23' ' ' ACE . . . . . . . . 0 C--O 1.21 -1.002 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 1.6 1.23 Allowed 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -48.91 -36.14 16.54 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 119.941 1.246 . . . . 0.0 112.172 159.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.08 -1.3 57.78 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 127.002 2.121 . . . . 0.0 115.254 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.78 53.63 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.88 73.38 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 119.564 1.075 . . . . 0.0 111.806 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.44 82.13 Favored 'General case' 0 C--O 1.191 -1.998 0 C-N-CA 125.062 1.345 . . . . 0.0 112.711 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.44 30.61 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.514 1.961 . . . . 0.0 111.765 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mm -75.96 -37.35 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 C-N-CA 123.937 0.895 . . . . 0.0 110.454 -167.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.26 -21.17 61.42 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 112.725 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.12 -65.04 0.73 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 158.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -68.13 -40.05 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.63 -161.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -31.59 72.88 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 120.098 1.317 . . . . 0.0 112.94 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.87 -37.04 49.1 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.969 1.308 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.979 HD12 ' CG1' ' B' ' 37' ' ' ILE . 55.3 mt -63.81 -40.28 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.4 1.88 . . . . 0.0 109.019 171.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.455 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 31.0 mt -59.74 -52.16 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 118.706 -2.496 . . . . 0.0 112.142 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -54.57 -29.02 50.01 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.52 1.528 . . . . 0.0 112.492 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.29 -38.96 17.0 Favored 'General case' 0 C--O 1.196 -1.728 0 N-CA-C 114.374 1.249 . . . . 0.0 114.374 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.88 -20.25 68.49 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 126.792 2.139 . . . . 0.0 118.395 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.86 24.79 66.09 Favored Glycine 0 C--O 1.204 -1.764 0 CA-C-N 118.598 1.199 . . . . 0.0 114.229 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.455 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 95.2 m-85 -58.79 -30.21 67.41 Favored 'General case' 0 C--O 1.207 -1.173 0 C-N-CA 126.324 1.85 . . . . 0.0 115.46 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.133 0 O-C-N 120.375 -1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . 0.266 . . 50.78 10.58 0.07 Allowed 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.41 -32.15 73.63 Favored 'General case' 0 C--O 1.189 -2.083 0 C-N-CA 126.023 1.729 . . . . 0.0 111.595 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -16.07 61.44 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 129.382 3.073 . . . . 0.0 113.515 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -58.9 6.18 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.569 0.622 . . . . 0.0 112.083 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.05 0.59 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.662 1.585 . . . . 0.0 114.776 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.33 -58.74 2.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 120.937 1.699 . . . . 0.0 111.319 149.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.77 -62.36 1.75 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.905 2.082 . . . . 0.0 115.21 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -22.24 16.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 O-C-N 120.038 -1.664 . . . . 0.0 111.498 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.73 56.59 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 125.84 1.656 . . . . 0.0 109.873 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.79 52.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 123.992 0.807 . . . . 0.0 110.121 163.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -38.65 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 O-C-N 121.17 -0.956 . . . . 0.0 113.018 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.07 75.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 120.378 -1.451 . . . . 0.0 114.437 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.9 74.06 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 125.719 1.608 . . . . 0.0 111.415 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.11 -46.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.837 2.855 . . . . 0.0 110.015 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 72.5 mt -53.24 -46.9 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 127.256 2.222 . . . . 0.0 115.697 169.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -56.23 -26.98 53.27 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 124.704 1.252 . . . . 0.0 112.725 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.01 -39.36 12.26 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 126.516 1.926 . . . . 0.0 114.781 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.16 -15.55 71.79 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 127.325 2.393 . . . . 0.0 118.36 -171.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.2 44.86 93.25 Favored Glycine 0 C--O 1.187 -2.801 0 CA-C-N 121.729 2.765 . . . . 0.0 114.191 167.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . . . . . . . . . 58.6 m-85 -73.2 -50.12 24.25 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 127.465 2.306 . . . . 0.0 113.624 -169.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . 0.988 ' H3 ' ' CH3' ' D' ' 67' ' ' ACE . . . . . . . . 0 C--O 1.207 -1.158 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 53.24 8.81 0.12 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 126.742 2.017 . . . . 0.0 116.201 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.9 -30.1 69.98 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.738 -1.851 . . . . 0.0 112.96 165.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.22 -7.22 22.2 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 127.804 2.442 . . . . 0.0 115.183 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.13 16.13 4.56 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 118.026 -2.921 . . . . 0.0 117.21 -166.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.02 -52.3 3.2 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.138 0.273 . . . . 0.0 110.887 147.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.28 72.45 Favored 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 125.935 1.694 . . . . 0.0 114.103 -173.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.65 77.9 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 125.507 1.523 . . . . 0.0 110.741 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . 0.969 HG22 ' CB ' ' D' ' 75' ' ' ILE . 9.3 mm -64.83 -46.53 91.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 125.633 1.573 . . . . 0.0 110.846 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.06 -26.42 67.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 117.957 -1.02 . . . . 0.0 113.23 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.38 -64.43 0.86 Allowed 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 123.696 0.798 . . . . 0.0 111.973 159.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.295 0.2 OUTLIER -58.45 -49.98 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -170.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.29 17.82 0.6 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.06 1.344 . . . . 0.0 114.082 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.33 -37.59 3.73 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.224 1.81 . . . . 0.0 111.866 159.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.81 -31.21 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.236 -2.165 . . . . 0.0 110.543 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.444 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . 1.2 mm -51.98 -56.18 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 128.973 2.909 . . . . 0.0 112.833 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.89 -34.23 76.25 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 127.659 2.384 . . . . 0.0 113.562 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.66 64.29 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 128.318 2.647 . . . . 0.0 113.084 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.91 -30.77 60.93 Favored Glycine 0 C--O 1.169 -3.927 0 C-N-CA 125.764 1.65 . . . . 0.0 114.098 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.87 6.25 58.18 Favored Glycine 0 N--CA 1.418 -2.53 0 C-N-CA 126.885 2.184 . . . . 0.0 113.902 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.444 ' CE2' ' HA ' ' D' ' 82' ' ' ILE . 1.6 m-85 -60.26 -61.51 2.55 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 118.152 0.976 . . . . 0.0 111.816 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.546 0 O-C-N 120.355 -1.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.984 ' H1 ' ' CH3' ' A' ' 1' ' ' ACE . . . . . . . . 0 C--O 1.218 -0.576 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.75 -0.74 2.32 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -51.56 -34.16 35.59 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 125.918 1.687 . . . . 0.0 112.182 160.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.02 -3.91 58.37 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 127.249 2.219 . . . . 0.0 114.615 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.08 -52.39 65.12 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 120.03 1.286 . . . . 0.0 111.886 -162.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.53 61.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 120.023 1.283 . . . . 0.0 113.383 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.37 83.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.6 -44.48 28.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.314 1.046 . . . . 0.0 110.909 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 24.7 mm -68.9 -46.74 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.678 -176.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.93 -23.91 60.75 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.181 0.593 . . . . 0.0 112.35 -170.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.17 -69.03 0.24 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 122.538 1.161 . . . . 0.0 114.098 156.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.283 4.3 tt -59.41 -53.66 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 O-C-N 120.855 -1.153 . . . . 0.0 113.263 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.47 9.63 1.01 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 122.078 2.217 . . . . 0.0 115.339 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.32 -40.69 5.75 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.975 2.11 . . . . 0.0 111.002 162.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.66 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 127.498 2.319 . . . . 0.0 111.399 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.446 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -40.51 -60.6 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 C-N-CA 129.471 3.108 . . . . 0.0 111.26 170.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -66.92 -39.34 87.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.253 2.621 . . . . 0.0 113.923 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.77 -32.84 70.09 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 126.813 2.045 . . . . 0.0 112.087 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.93 -61.15 3.37 Favored Glycine 0 C--O 1.198 -2.153 0 O-C-N 120.671 -1.268 . . . . 0.0 112.804 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.04 3.03 10.94 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 125.334 1.445 . . . . 0.0 115.381 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.446 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.32 0.0 OUTLIER -93.18 -7.31 45.65 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -174.528 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 121.032 -1.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.46 4.44 0.54 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -51.66 -30.49 21.89 Favored 'General case' 0 C--O 1.211 -0.956 0 C-N-CA 125.195 1.398 . . . . 0.0 113.718 159.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.33 0.81 56.53 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 127.698 2.399 . . . . 0.0 116.536 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.26 4.02 32.82 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -168.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.88 -54.05 5.15 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 121.709 2.049 . . . . 0.0 108.998 150.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.88 79.53 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.304 1.841 . . . . 0.0 114.052 -170.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.95 80.84 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 122.087 0.946 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 22.1 mm -82.09 -40.24 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.571 1.549 . . . . 0.0 110.766 -174.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -78.93 -18.69 53.38 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -76.55 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.119 0.961 . . . . 0.0 111.272 145.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.66 -39.57 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 120.76 -1.213 . . . . 0.0 113.613 -153.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.34 64.6 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 120.547 1.522 . . . . 0.0 114.469 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.98 27.91 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.168 1.787 . . . . 0.0 112.338 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.19 -39.33 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 126.236 1.814 . . . . 0.0 109.154 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ILE . . . . . 0.43 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 24.9 mt -56.86 -45.97 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 120.125 -1.609 . . . . 0.0 115.154 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.668 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -49.06 10.29 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 119.529 1.059 . . . . 0.0 112.841 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.08 98.6 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 116.94 1.536 . . . . 0.0 116.94 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.08 41.85 25.98 Favored Glycine 0 C--O 1.207 -1.555 0 C-N-CA 126.432 1.968 . . . . 0.0 114.428 -172.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.43 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 84.5 m-85 -57.05 -33.95 67.75 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 126.117 1.767 . . . . 0.0 115.157 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.708 0 O-C-N 120.335 -1.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.216 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.81 -42.69 8.07 Favored 'General case' 0 C--O 1.185 -2.328 0 C-N-CA 126.831 2.052 . . . . 0.0 113.227 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -109.01 -13.92 14.64 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.874 2.47 . . . . 0.0 113.923 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.28 -9.07 59.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.88 -60.59 3.16 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.958 1.303 . . . . 0.0 114.008 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -33.47 69.79 Favored 'General case' 0 C--O 1.205 -1.279 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.46 -28.4 63.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 124.889 1.276 . . . . 0.0 112.332 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.81 -82.21 0.07 Allowed 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 119.87 1.213 . . . . 0.0 112.039 161.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -24.5 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -155.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -36.84 12.73 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.101 -169.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.46 -48.08 72.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.976 0.91 . . . . 0.0 109.206 159.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.02 -35.87 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 O-C-N 120.332 -1.48 . . . . 0.0 114.193 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.04 70.33 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 120.039 1.291 . . . . 0.0 113.823 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.21 -35.09 48.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.87 1.668 . . . . 0.0 113.593 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.93 -36.26 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.3 1.84 . . . . 0.0 111.057 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' ILE . . . . . 0.471 HG12 ' CD1' ' C' ' 65' ' ' PHE . 43.5 mt -60.05 -45.55 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 126.68 1.992 . . . . 0.0 113.804 168.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -55.92 -26.04 45.85 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 125.72 1.608 . . . . 0.0 113.156 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.37 8.93 Favored 'General case' 0 C--O 1.191 -2.016 0 C-N-CA 125.849 1.659 . . . . 0.0 113.76 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.05 -21.97 77.41 Favored Glycine 0 N--CA 1.434 -1.434 0 C-N-CA 126.42 1.962 . . . . 0.0 115.609 -171.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.71 26.97 61.73 Favored Glycine 0 C--O 1.203 -1.792 0 CA-C-N 121.957 2.878 . . . . 0.0 114.374 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' PHE . . . . . 0.471 ' CD1' HG12 ' C' ' 60' ' ' ILE . 70.5 m-85 -57.01 -67.38 0.32 Allowed 'General case' 0 C--O 1.197 -1.71 0 C-N-CA 128.16 2.584 . . . . 0.0 112.617 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.019 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.347 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.03 71.76 0.91 Allowed 'General case' 0 N--CA 1.419 -2.005 0 C-N-CA 130.276 3.43 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -58.86 -27.77 65.49 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 120.37 -1.457 . . . . 0.0 114.212 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.96 -1.98 8.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.406 2.283 . . . . 0.0 114.929 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.92 18.93 0.92 Allowed 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.67 -45.08 3.4 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.207 0.603 . . . . 0.0 111.824 150.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.43 85.77 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.814 1.645 . . . . 0.0 115.354 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -34.29 75.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.525 0.679 . . . . 0.0 110.434 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mm -71.12 -44.36 74.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 124.707 1.203 . . . . 0.0 111.837 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -63.45 -33.76 76.26 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.7 1.54 26.1 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 127.37 2.268 . . . . 0.0 115.661 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.252 16.4 tt -118.77 -51.32 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 121.101 1.773 . . . . 0.0 113.293 167.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.34 72.49 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.08 58.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.74 1.216 . . . . 0.0 113.523 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.18 -41.25 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 125.679 1.591 . . . . 0.0 107.669 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 82' ' ' ILE . . . . . 0.453 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 25.8 mt -54.68 -47.47 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.082 2.153 . . . . 0.0 113.349 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.85 -30.49 61.55 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 111.808 173.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.92 -34.93 15.87 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.79 -27.89 52.48 Favored Glycine 0 C--O 1.211 -1.308 0 O-C-N 120.527 -1.358 . . . . 0.0 114.322 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.81 36.68 66.13 Favored Glycine 0 C--O 1.207 -1.591 0 CA-C-N 120.363 2.082 . . . . 0.0 112.681 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 87' ' ' PHE . . . . . 0.453 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 96.6 m-85 -55.08 -67.84 0.24 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.262 2.225 . . . . 0.0 114.683 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 O-C-N 120.227 -1.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -49.29 -37.13 22.87 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 119.779 1.172 . . . . 0.0 113.521 159.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.05 -2.89 36.36 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.449 2.7 . . . . 0.0 116.397 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.24 70.26 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -163.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -48.77 63.59 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 120.46 1.482 . . . . 0.0 112.559 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.63 76.52 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 127.082 2.153 . . . . 0.0 113.894 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -77.88 -49.19 14.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.037 1.399 . . . . 0.0 112.676 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' HG22 ' A' ' 12' ' ' ILE . 4.6 mm -75.54 -34.11 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 111.084 -166.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -71.04 -21.42 62.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.816 0.847 . . . . 0.0 112.576 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 -61.82 1.64 Allowed 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 161.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 9' ' ' ILE 0.252 15.9 tt -63.67 -43.79 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 O-C-N 119.918 -1.739 . . . . 0.0 112.894 -167.07 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.24 68.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.356 1.889 . . . . 0.0 114.012 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.69 -37.73 49.02 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -68.98 -36.93 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.242 1.417 . . . . 0.0 111.19 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 mt -53.65 -48.98 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 128.736 2.814 . . . . 0.0 114.408 168.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -60.89 -28.76 69.13 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.7 1.2 . . . . 0.0 111.583 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.62 -46.42 13.31 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-N 119.663 1.12 . . . . 0.0 112.68 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.39 78.6 Favored Glycine 0 C--O 1.198 -2.096 0 C-N-CA 125.558 1.551 . . . . 0.0 115.097 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.87 6.08 Favored Glycine 0 C--O 1.2 -2.01 0 CA-C-O 122.393 0.996 . . . . 0.0 114.178 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' HB3' HG21 ' D' ' 75' ' ' ILE . 72.8 m-85 . . . . . 0 C--O 1.2 -1.533 0 C-N-CA 127.385 2.274 . . . . 0.0 115.487 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.791 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -47.78 -35.53 10.16 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 119.841 -1.787 . . . . 0.0 114.125 163.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.97 -1.24 38.66 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 128.295 2.638 . . . . 0.0 115.02 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.82 6.08 33.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -165.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.22 -55.34 3.57 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.868 1.213 . . . . 0.0 111.134 152.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.08 72.46 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 126.54 1.936 . . . . 0.0 113.954 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 12' ' ' ILE . . . -72.78 -34.45 66.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.071 -1.643 . . . . 0.0 113.049 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mm -80.94 -37.47 16.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 109.2 -171.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -56.03 -38.81 71.06 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.558 1.143 . . . . 0.0 110.255 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.35 3.36 11.17 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 8' ' ' ALA . 18.8 tt -122.19 -45.08 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 126.101 1.76 . . . . 0.0 112.642 163.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.54 68.3 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 122.23 2.286 . . . . 0.0 114.322 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.94 -21.65 54.49 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 124.44 1.096 . . . . 0.0 113.514 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.32 -37.46 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 125.29 1.436 . . . . 0.0 110.531 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 37.6 mt -49.03 -47.42 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 127.254 2.222 . . . . 0.0 111.941 164.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -52.0 -38.29 56.24 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.796 1.639 . . . . 0.0 113.664 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.62 -47.11 15.99 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 124.643 1.177 . . . . 0.0 112.901 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -49.23 49.34 Favored Glycine 0 C--O 1.204 -1.774 0 C-N-CA 126.133 1.825 . . . . 0.0 114.954 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.06 43.96 6.9 Favored Glycine 0 C--O 1.216 -1.018 0 CA-C-N 119.082 1.441 . . . . 0.0 112.948 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 24.3 m-85 . . . . . 0 C--O 1.2 -1.547 0 C-N-CA 127.415 2.286 . . . . 0.0 112.859 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.13 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -51.73 -30.97 24.53 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 126.625 1.97 . . . . 0.0 113.663 165.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 -10.15 58.67 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.669 1.988 . . . . 0.0 115.629 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.62 58.85 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.86 -55.83 30.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.119 0.968 . . . . 0.0 110.7 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.76 -19.76 65.98 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.85 4.25 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 123.11 1.433 . . . . 0.0 109.87 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 mt -84.89 -18.19 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.675 -1.891 . . . . 0.0 112.607 -164.295 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -70.45 -19.1 62.99 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 119.28 0.946 . . . . 0.0 113.178 171.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.3 2.4 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.869 1.268 . . . . 0.0 111.197 153.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -65.69 -36.81 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 120.523 -1.361 . . . . 0.0 114.547 -162.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -30.59 71.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 119.633 1.106 . . . . 0.0 113.647 173.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.5 41.55 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.449 2.299 . . . . 0.0 111.927 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.94 -35.68 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 128.733 2.813 . . . . 0.0 109.154 171.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.449 HG12 ' CD1' ' C' ' 65' ' ' PHE . 52.7 mt -60.99 -45.06 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 O-C-N 119.521 -1.987 . . . . 0.0 114.184 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.06 -23.43 67.44 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.495 -1.24 . . . . 0.0 113.912 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.19 -41.4 18.48 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 126.683 1.993 . . . . 0.0 113.306 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.81 -61.34 4.72 Favored Glycine 0 C--O 1.192 -2.476 0 C-N-CA 124.834 1.207 . . . . 0.0 114.697 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.02 37.04 6.91 Favored Glycine 0 C--O 1.208 -1.494 0 C-N-CA 126.859 2.171 . . . . 0.0 114.333 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.449 ' CD1' HG12 ' C' ' 60' ' ' ILE . 72.3 m-85 . . . . . 0 C--O 1.196 -1.731 0 C-N-CA 128.382 2.673 . . . . 0.0 115.336 -170.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -45.25 -35.02 3.12 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 125.8 1.64 . . . . 0.0 114.168 159.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.41 57.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.593 2.357 . . . . 0.0 114.006 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.82 74.28 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.228 -1.545 . . . . 0.0 114.368 -167.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -21.98 66.37 Favored 'General case' 0 C--O 1.174 -2.89 0 O-C-N 120.946 -1.097 . . . . 0.0 113.068 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.43 -32.55 32.61 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 127.139 2.176 . . . . 0.0 113.237 172.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.23 -54.85 4.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 120.701 1.591 . . . . 0.0 110.856 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' PHE . 8.6 mm -69.89 -42.99 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.008 -165.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -75.04 -23.79 58.17 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.401 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.03 -59.8 2.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 124.172 0.92 . . . . 0.0 110.937 158.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -38.21 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 O-C-N 120.512 -1.368 . . . . 0.0 113.557 -164.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.82 64.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.756 1.616 . . . . 0.0 114.145 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.82 -36.89 41.88 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.66 -41.66 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.246 1.418 . . . . 0.0 110.109 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.436 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 70.2 mt -54.08 -48.47 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 O-C-N 119.42 -2.05 . . . . 0.0 115.187 167.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.65 -33.24 54.53 Favored 'General case' 0 C--O 1.206 -1.184 0 C-N-CA 125.168 1.387 . . . . 0.0 112.45 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.02 -37.34 19.04 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.935 1.694 . . . . 0.0 113.943 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.37 -66.85 1.82 Allowed Glycine 0 C--O 1.209 -1.44 0 C-N-CA 125.028 1.299 . . . . 0.0 114.246 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.77 53.45 1.8 Allowed Glycine 0 C--O 1.186 -2.905 0 C-N-CA 125.002 1.287 . . . . 0.0 112.762 -168.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' D' ' 82' ' ' ILE . 13.7 m-85 . . . . . 0 C--O 1.182 -2.476 0 C-N-CA 127.822 2.449 . . . . 0.0 114.588 -164.185 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.851 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.258 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -53.13 -30.63 37.93 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 121.359 1.89 . . . . 0.0 113.229 157.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.24 3.43 43.14 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 127.344 2.257 . . . . 0.0 116.269 174.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.34 -55.17 26.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -160.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.38 69.16 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.26 74.59 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.105 -0.997 . . . . 0.0 113.078 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.69 -83.17 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 118.928 0.785 . . . . 0.0 112.466 164.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -23.16 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 120.569 -1.332 . . . . 0.0 112.058 -154.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -97.27 -29.61 13.45 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 118.097 0.408 . . . . 0.0 111.017 -168.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.82 -53.5 57.1 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 157.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.251 1.6 mp -60.17 -36.29 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.37 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.51 76.0 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.4 63.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 112.96 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.48 -41.49 83.22 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 C-N-CA 125.152 1.381 . . . . 0.0 109.108 173.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 65.9 mt -56.17 -49.03 78.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 128.86 2.864 . . . . 0.0 114.829 169.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -53.56 -33.31 54.28 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.278 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.44 24.86 Favored 'General case' 0 C--O 1.185 -2.323 0 O-C-N 119.735 -1.853 . . . . 0.0 114.468 169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.8 -15.19 55.24 Favored Glycine 0 C--O 1.199 -2.061 0 N-CA-C 118.251 2.06 . . . . 0.0 118.251 -166.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.47 44.22 90.68 Favored Glycine 1 C--O 1.162 -4.347 0 CA-C-N 120.056 1.928 . . . . 0.0 113.979 169.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.524 ' CB ' HG21 ' D' ' 75' ' ' ILE . 66.8 m-85 . . . . . 0 C--N 1.291 -1.954 0 C-N-CA 127.584 2.354 . . . . 0.0 116.502 -173.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.0 -27.55 68.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 O-C-N 119.738 -1.851 . . . . 0.0 110.66 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.35 -6.83 48.65 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 128.212 2.605 . . . . 0.0 114.672 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.84 21.07 2.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 -166.577 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.16 -47.79 3.36 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.208 1.003 . . . . 0.0 111.594 148.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.97 78.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.389 2.275 . . . . 0.0 113.25 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.75 78.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.295 1.045 . . . . 0.0 110.703 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.78 -43.11 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 C-N-CA 123.72 0.808 . . . . 0.0 109.902 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.97 -21.71 60.81 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.565 1.146 . . . . 0.0 112.846 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.79 -66.83 0.5 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.166 0.986 . . . . 0.0 112.382 157.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.73 -48.44 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.004 -167.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.97 11.72 1.03 Allowed 'General case' 0 C--O 1.191 -2.004 0 CA-C-N 120.554 1.525 . . . . 0.0 114.845 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.26 -41.56 5.51 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.951 2.1 . . . . 0.0 113.822 157.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.61 -39.61 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 127.374 2.269 . . . . 0.0 112.014 173.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 43' ' ' PHE . 4.0 mm -44.4 -60.93 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 C-N-CA 131.09 3.756 . . . . 0.0 111.374 167.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.08 -37.67 84.38 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 128.931 2.892 . . . . 0.0 111.521 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.91 -37.91 61.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.559 2.344 . . . . 0.0 112.803 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -58.74 11.49 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 124.563 1.078 . . . . 0.0 112.712 168.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.9 17.11 9.9 Favored Glycine 0 C--O 1.196 -2.263 0 C-N-CA 126.429 1.966 . . . . 0.0 114.344 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' B' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.322 0 C-N-CA 126.561 1.945 . . . . 0.0 114.005 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -56.57 -35.33 68.06 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 119.927 -1.733 . . . . 0.0 113.896 157.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.23 19.04 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 128.464 2.705 . . . . 0.0 115.478 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.97 51.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 120.722 -1.236 . . . . 0.0 114.185 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -12.19 22.26 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 120.616 1.553 . . . . 0.0 113.992 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.95 -45.68 10.03 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.3 -2.125 . . . . 0.0 115.487 162.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.17 66.44 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.109 -1.619 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.36 -42.24 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.007 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.68 -36.13 80.12 Favored 'General case' 0 C--O 1.194 -1.837 0 C-N-CA 124.685 1.194 . . . . 0.0 113.443 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.96 -7.46 53.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.253 0.3 OUTLIER -108.6 -60.58 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.89 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -8.76 57.18 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 122.799 2.545 . . . . 0.0 115.502 -164.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.66 -28.74 19.27 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 123.804 0.842 . . . . 0.0 113.233 164.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.61 -40.55 28.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 128.761 2.824 . . . . 0.0 110.989 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.546 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 29.2 mm -33.44 -57.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 128.74 2.816 . . . . 0.0 112.241 164.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -71.79 -40.3 69.32 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 127.992 2.517 . . . . 0.0 112.587 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.44 78.7 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 125.646 1.579 . . . . 0.0 112.078 172.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.49 -54.01 8.07 Favored Glycine 0 C--O 1.215 -1.068 0 O-C-N 124.167 0.917 . . . . 0.0 112.655 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.29 30.35 5.99 Favored Glycine 0 C--O 1.189 -2.667 0 C-N-CA 127.459 2.457 . . . . 0.0 112.845 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' C' ' 60' ' ' ILE 0.299 0.1 OUTLIER . . . . . 0 C--N 1.308 -1.206 0 CA-C-N 120.649 2.224 . . . . 0.0 115.591 -173.257 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.909 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -55.05 -26.29 36.51 Favored 'General case' 0 C--O 1.212 -0.918 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 166.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.54 52.82 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 128.371 2.669 . . . . 0.0 114.788 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.9 81.67 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -163.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.34 71.19 Favored 'General case' 1 C--O 1.117 -5.903 0 O-C-N 119.922 -1.736 . . . . 0.0 112.782 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.5 -38.42 71.17 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 117.843 -3.036 . . . . 0.0 113.656 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.88 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.48 1.512 . . . . 0.0 110.046 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 21' ' ' PHE . 10.6 mm -72.28 -37.66 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.244 1.818 . . . . 0.0 110.644 -173.107 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -73.8 -21.35 60.18 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.81 0.78 Allowed 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 119.205 0.911 . . . . 0.0 110.496 155.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -42.19 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 120.471 -1.393 . . . . 0.0 112.959 -165.005 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.87 73.21 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.82 -29.92 29.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.968 1.366 . . . . 0.0 111.965 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.94 -39.07 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 119.474 -2.016 . . . . 0.0 108.649 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 23.6 mt -51.8 -52.68 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 125.561 1.544 . . . . 0.0 112.454 165.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.63 -26.98 57.42 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -49.31 9.71 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.999 1.72 . . . . 0.0 112.712 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.76 92.71 Favored Glycine 0 C--O 1.203 -1.783 0 C-N-CA 126.23 1.872 . . . . 0.0 114.83 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.47 40.03 10.35 Favored Glycine 0 C--O 1.19 -2.655 0 C-N-CA 126.434 1.968 . . . . 0.0 112.138 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 75.4 m-85 . . . . . 0 C--O 1.203 -1.344 0 C-N-CA 126.9 2.08 . . . . 0.0 114.468 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -63.52 -28.78 70.18 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.866 1.666 . . . . 0.0 111.884 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -11.67 61.05 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.125 2.97 . . . . 0.0 114.916 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 12.44 10.68 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -166.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.07 -54.35 3.76 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 119.512 -1.992 . . . . 0.0 110.622 146.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.8 67.79 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.758 1.623 . . . . 0.0 114.298 -173.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.24 61.02 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.24 1.019 . . . . 0.0 110.364 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' D' ' 87' ' ' PHE . 14.4 mm -66.51 -43.54 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.542 1.537 . . . . 0.0 111.709 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -67.49 -27.41 66.98 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 124.823 1.249 . . . . 0.0 114.282 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.4 -64.71 0.81 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 118.453 0.57 . . . . 0.0 111.176 157.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -43.18 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-O 116.224 -1.846 . . . . 0.0 112.745 -163.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.94 73.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 122.706 2.503 . . . . 0.0 113.952 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.63 58.39 Favored 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 124.263 1.025 . . . . 0.0 113.22 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -66.75 -44.1 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 126.194 1.798 . . . . 0.0 111.329 170.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 21' ' ' PHE . 46.2 mt -55.55 -41.31 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.618 2.367 . . . . 0.0 113.715 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -60.82 -27.84 68.35 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 124.914 1.286 . . . . 0.0 112.928 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.71 -41.78 14.83 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 124.17 0.988 . . . . 0.0 111.956 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.46 -48.5 36.58 Favored Glycine 0 N--CA 1.436 -1.352 0 O-C-N 120.549 -1.345 . . . . 0.0 116.452 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 28.91 47.83 Favored Glycine 0 C--O 1.197 -2.171 0 C-N-CA 126.834 2.159 . . . . 0.0 117.387 -171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CD1' HG12 ' A' ' 16' ' ' ILE . 74.2 m-85 . . . . . 0 C--O 1.182 -2.485 0 C-N-CA 128.54 2.736 . . . . 0.0 114.835 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.368 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -126.34 -9.56 6.36 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 126.975 2.11 . . . . 0.0 113.855 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 -1.55 16.4 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.343 1.457 . . . . 0.0 114.211 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.424 ' O ' HG12 ' B' ' 31' ' ' ILE . . . -57.08 -55.49 34.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.903 -1.123 . . . . 0.0 112.412 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.29 63.6 Favored 'General case' 0 C--O 1.164 -3.402 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.43 78.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 -47.88 16.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.698 1.599 . . . . 0.0 112.588 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 65' ' ' PHE . 13.6 mm -59.99 -50.04 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 O-C-N 121.743 -0.598 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.94 -29.16 68.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 124.729 1.212 . . . . 0.0 113.262 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.81 -2.04 57.84 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 113.654 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -56.92 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-O 115.136 -2.364 . . . . 0.0 111.675 172.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.68 91.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 123.617 2.917 . . . . 0.0 113.033 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.93 64.51 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.4 -41.94 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.341 1.856 . . . . 0.0 111.977 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -56.51 -43.96 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 125.8 1.64 . . . . 0.0 112.419 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -55.48 -26.58 43.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.205 1.402 . . . . 0.0 114.519 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -35.62 11.03 Favored 'General case' 1 C--O 1.145 -4.404 0 C-N-CA 125.235 1.414 . . . . 0.0 114.419 167.215 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.92 -13.81 58.68 Favored Glycine 0 C--N 1.294 -1.795 0 O-C-N 118.28 -2.763 . . . . 0.0 117.367 -166.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.9 52.9 47.14 Favored Glycine 0 C--O 1.178 -3.366 0 CA-C-N 121.219 2.509 . . . . 0.0 114.754 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 C--O 1.198 -1.638 0 C-N-CA 127.134 2.174 . . . . 0.0 112.911 -162.351 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -45.04 -38.35 4.82 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-N 120.669 1.577 . . . . 0.0 113.417 157.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.36 -5.1 51.23 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 128.562 2.745 . . . . 0.0 114.633 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -48.88 73.83 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.001 -1.687 . . . . 0.0 115.343 -167.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.89 70.79 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 120.943 1.701 . . . . 0.0 112.194 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.18 76.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.548 1.539 . . . . 0.0 114.773 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.6 17.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.348 1.547 . . . . 0.0 112.55 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.92 -33.78 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.361 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -67.14 -24.83 65.95 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 118.061 -0.971 . . . . 0.0 113.018 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.83 -64.49 0.88 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 118.386 0.539 . . . . 0.0 111.48 159.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -37.87 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -167.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.82 61.69 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.2 34.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.9 1.68 . . . . 0.0 112.58 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.45 -40.38 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 125.692 1.597 . . . . 0.0 108.758 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 32.9 mt -51.15 -50.38 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.124 1.77 . . . . 0.0 114.672 167.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -61.78 -25.95 67.78 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.72 -49.51 10.36 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.662 1.185 . . . . 0.0 113.125 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.31 -38.62 93.84 Favored Glycine 0 C--O 1.208 -1.469 0 O-C-N 120.653 -1.279 . . . . 0.0 115.565 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.67 42.16 9.28 Favored Glycine 0 C--O 1.188 -2.732 0 C-N-CA 124.901 1.238 . . . . 0.0 113.742 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.517 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 63.4 m-85 . . . . . 0 C--O 1.2 -1.527 0 C-N-CA 126.915 2.086 . . . . 0.0 112.154 -166.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.891 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.62 -28.25 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.14 -2.225 . . . . 0.0 114.196 162.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.53 -5.01 53.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 127.881 2.472 . . . . 0.0 115.597 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.92 61.32 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -159.015 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.57 87.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 120.338 1.426 . . . . 0.0 111.991 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.06 89.7 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.39 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.04 85.85 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.478 1.49 . . . . 0.0 112.672 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.95 -17.0 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.922 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.46 -19.62 62.95 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 118.451 0.569 . . . . 0.0 111.654 168.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.15 -68.55 0.38 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.091 0.956 . . . . 0.0 111.266 153.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -39.79 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 120.61 -1.306 . . . . 0.0 113.059 -160.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.59 67.41 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.92 -33.59 33.99 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 121.12 -0.987 . . . . 0.0 112.121 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.13 -43.18 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 126.016 1.726 . . . . 0.0 108.823 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 54.2 mt -49.69 -48.34 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 C-N-CA 126.631 1.972 . . . . 0.0 115.846 168.645 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.43 -30.45 68.49 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.545 1.138 . . . . 0.0 113.793 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.67 -50.78 10.12 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 124.654 1.182 . . . . 0.0 111.123 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.9 -35.74 80.07 Favored Glycine 0 C--O 1.21 -1.398 0 CA-C-N 120.32 1.418 . . . . 0.0 116.191 -173.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.58 23.03 29.65 Favored Glycine 0 C--O 1.202 -1.859 0 C-N-CA 125.379 1.466 . . . . 0.0 115.261 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.528 ' CB ' HG21 ' A' ' 9' ' ' ILE . 16.7 m-85 . . . . . 0 C--O 1.208 -1.127 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.81 -18.18 60.99 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 125.335 1.454 . . . . 0.0 114.864 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.61 31.75 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 126.536 1.934 . . . . 0.0 113.447 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.44 70.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.78 77.46 Favored 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.41 69.21 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -82.85 -55.21 4.54 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.51 1.959 . . . . 0.0 112.863 170.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.513 HG21 ' CB ' ' D' ' 87' ' ' PHE . 10.2 mm -71.81 -40.54 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 123.991 0.916 . . . . 0.0 109.922 -164.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.9 -22.35 62.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.96 -69.74 0.3 Allowed 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 157.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -36.55 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 O-C-N 121.373 -0.83 . . . . 0.0 113.095 -161.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.27 63.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.464 1.484 . . . . 0.0 114.29 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -33.06 22.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.516 1.126 . . . . 0.0 111.832 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.32 -42.34 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 126.167 1.787 . . . . 0.0 109.144 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.505 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 16.7 mt -55.61 -47.18 79.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 CA-C-N 121.076 1.762 . . . . 0.0 113.396 169.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -58.94 -28.62 66.44 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.09 11.02 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 126.206 1.802 . . . . 0.0 112.669 171.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.4 90.25 Favored Glycine 0 C--O 1.205 -1.675 0 CA-C-N 120.338 1.426 . . . . 0.0 114.857 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 29.63 11.74 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 124.547 1.07 . . . . 0.0 114.466 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 32.7 m-85 . . . . . 0 C--O 1.171 -3.041 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.019 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -45.54 -32.8 2.42 Favored 'General case' 0 N--CA 1.438 -1.072 0 O-C-N 120.278 -1.514 . . . . 0.0 114.645 159.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.49 51.37 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.074 2.949 . . . . 0.0 114.705 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -60.87 3.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -166.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.41 54.22 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 118.983 0.81 . . . . 0.0 111.78 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.75 84.19 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.66 -46.02 33.81 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.86 -1.15 . . . . 0.0 112.605 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.27 -37.47 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.663 -172.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.24 -40.46 90.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 121.832 -0.543 . . . . 0.0 112.02 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -2.72 9.64 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.497 HG13 ' HB1' ' A' ' 8' ' ' ALA 0.284 20.8 tt -117.86 -50.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 120.466 -1.396 . . . . 0.0 112.295 165.714 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.96 69.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 121.977 2.171 . . . . 0.0 114.61 -169.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.4 -21.95 38.62 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-O 122.442 1.115 . . . . 0.0 113.718 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.29 -39.55 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 126.826 2.05 . . . . 0.0 108.87 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.402 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 28.1 mt -53.37 -48.67 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 126.23 1.812 . . . . 0.0 112.031 170.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -51.95 -28.77 17.76 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.373 1.869 . . . . 0.0 114.623 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.52 -48.36 7.99 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 124.292 1.037 . . . . 0.0 113.583 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.94 97.57 Favored Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 126.399 1.952 . . . . 0.0 114.891 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.98 52.98 16.42 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-N 121.251 2.526 . . . . 0.0 112.802 -174.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CB ' HG21 ' C' ' 53' ' ' ILE . 67.6 m-85 . . . . . 0 C--O 1.178 -2.692 0 C-N-CA 127.608 2.363 . . . . 0.0 113.283 -173.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.951 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -46.78 -35.78 6.58 Favored 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.502 157.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.75 -4.55 59.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.191 2.197 . . . . 0.0 114.313 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.95 59.49 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.68 -36.58 72.13 Favored 'General case' 1 C--O 1.149 -4.194 0 CA-C-N 120.683 1.583 . . . . 0.0 112.41 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.69 75.39 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 118.904 -2.373 . . . . 0.0 115.398 170.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.09 64.63 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.577 1.655 . . . . 0.0 112.099 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' B' ' 43' ' ' PHE . 6.7 mm -80.14 -36.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 113.032 -1.894 . . . . 0.0 110.316 -170.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -65.91 -23.71 66.69 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.79 -67.74 0.4 Allowed 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 119.545 1.066 . . . . 0.0 110.846 156.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' D' ' 74' ' ' ALA . 0.0 OUTLIER -64.66 -40.79 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-O 117.859 -1.067 . . . . 0.0 112.752 -163.961 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.76 65.65 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 121.867 2.122 . . . . 0.0 114.466 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.4 32.67 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.798 1.639 . . . . 0.0 111.728 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.56 -40.69 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 126.298 1.839 . . . . 0.0 109.016 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 41.1 mt -54.91 -51.18 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 127.004 2.122 . . . . 0.0 113.836 168.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.36 -26.87 54.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.402 1.481 . . . . 0.0 112.585 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.57 13.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.657 1.583 . . . . 0.0 113.807 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.01 -52.02 9.55 Favored Glycine 0 C--O 1.204 -1.738 0 O-C-N 120.474 -1.391 . . . . 0.0 115.374 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 38.99 6.2 Favored Glycine 0 C--O 1.177 -3.409 0 C-N-CA 124.285 0.945 . . . . 0.0 113.884 -173.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 71.8 m-85 . . . . . 0 C--O 1.186 -2.267 0 C-N-CA 128.952 2.901 . . . . 0.0 115.841 -174.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -47.51 -39.06 15.2 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 124.86 1.264 . . . . 0.0 113.608 160.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.96 -0.72 28.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 129.569 3.148 . . . . 0.0 115.472 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.32 7.1 20.47 Favored 'General case' 0 C--O 1.202 -1.443 0 O-C-N 118.401 -2.687 . . . . 0.0 114.886 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.51 -58.04 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 121.351 1.887 . . . . 0.0 109.956 149.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.71 70.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.988 1.315 . . . . 0.0 114.03 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 74' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' C' ' 56' ' ' ILE . . . -74.84 -42.27 58.29 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 120.409 -1.432 . . . . 0.0 112.218 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PHE . 14.9 mm -70.26 -42.49 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 124.761 1.224 . . . . 0.0 110.674 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.47 -23.59 61.07 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.742 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.56 -68.4 0.36 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 119.643 1.111 . . . . 0.0 109.922 156.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -39.27 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 O-C-N 120.021 -1.674 . . . . 0.0 112.842 -158.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.41 73.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 120.155 1.343 . . . . 0.0 113.599 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.839 2.055 . . . . 0.0 113.019 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.57 -43.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 125.655 1.582 . . . . 0.0 110.124 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 37.8 mt -55.69 -47.41 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.99 -29.01 4.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.441 1.496 . . . . 0.0 114.169 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -44.11 9.68 Favored 'General case' 0 C--O 1.201 -1.456 0 C-N-CA 126.675 1.99 . . . . 0.0 113.603 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -40.39 82.14 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 125.319 1.438 . . . . 0.0 114.988 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.25 24.41 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 119.852 1.826 . . . . 0.0 115.25 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.513 ' CB ' HG21 ' A' ' 9' ' ' ILE . 86.0 m-85 . . . . . 0 C--O 1.2 -1.522 0 C-N-CA 126.536 1.934 . . . . 0.0 115.177 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.33 -25.84 66.1 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.568 -1.958 . . . . 0.0 112.953 168.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.99 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 114.259 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.74 34.05 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -154.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.96 66.9 Favored 'General case' 1 C--O 1.133 -5.058 0 O-C-N 121.172 -0.955 . . . . 0.0 112.861 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.58 -37.51 31.14 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 122.641 2.473 . . . . 0.0 113.299 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.9 -41.85 28.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.383 1.563 . . . . 0.0 111.388 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' D' ' 87' ' ' PHE . 8.0 mm -74.77 -40.44 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 110.987 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.16 -26.17 62.87 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.62 -61.41 2.1 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.694 0.797 . . . . 0.0 111.291 161.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.265 0.4 OUTLIER -61.68 -41.11 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 O-C-N 120.858 -1.151 . . . . 0.0 111.603 -171.116 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.23 75.2 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 113.567 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.41 -35.14 54.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.292 -2.13 . . . . 0.0 111.324 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.18 -38.77 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 C-N-CA 126.7 2.0 . . . . 0.0 108.929 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 68.0 mt -55.42 -50.94 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 113.402 166.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -57.76 -29.04 64.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.174 0.989 . . . . 0.0 111.66 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -47.04 14.4 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 120.082 -1.636 . . . . 0.0 113.404 169.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.08 -16.61 59.09 Favored Glycine 0 C--O 1.185 -2.928 0 CA-C-O 117.827 -1.541 . . . . 0.0 116.73 -162.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 62.27 5.0 Favored Glycine 0 C--O 1.199 -2.035 0 CA-C-N 122.077 2.939 . . . . 0.0 112.865 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CB ' HG21 ' D' ' 75' ' ' ILE . 11.2 m-85 . . . . . 0 N--CA 1.441 -0.906 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -168.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -67.38 -25.84 66.16 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.735 1.614 . . . . 0.0 111.676 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 -12.76 60.64 Favored 'General case' 0 C--O 1.208 -1.099 0 C-N-CA 126.533 1.933 . . . . 0.0 114.38 170.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.54 61.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.74 76.47 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 121.018 1.736 . . . . 0.0 112.333 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -24.77 67.91 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.15 8.03 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 120.545 1.52 . . . . 0.0 111.97 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.51 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.0 mm -75.8 -36.58 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 125.097 1.359 . . . . 0.0 110.757 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -67.06 -28.62 68.35 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.111 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 -56.59 8.2 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.76 163.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -39.03 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 120.113 1.324 . . . . 0.0 111.682 -168.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.61 69.19 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 120.146 1.339 . . . . 0.0 113.898 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.61 -37.72 62.76 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 119.508 1.049 . . . . 0.0 111.795 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.68 -46.88 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.736 2.014 . . . . 0.0 109.818 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.501 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 66.4 mt -52.36 -50.93 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 O-C-N 118.168 -2.833 . . . . 0.0 113.343 168.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.65 -26.15 61.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.641 1.176 . . . . 0.0 114.163 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.96 -42.16 12.65 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 125.593 1.557 . . . . 0.0 114.107 168.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.94 -9.9 58.0 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 127.381 2.42 . . . . 0.0 116.764 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.97 57.87 14.16 Favored Glycine 0 C--O 1.21 -1.374 0 CA-C-N 120.869 2.335 . . . . 0.0 113.527 167.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 10.3 m-85 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 120.798 -1.413 . . . . 0.0 113.19 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -58.6 -34.31 70.97 Favored 'General case' 0 C--O 1.194 -1.83 0 C-N-CA 125.699 1.6 . . . . 0.0 113.408 162.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.62 66.06 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 127.08 2.152 . . . . 0.0 113.688 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . . . -79.47 1.28 26.18 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -176.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.11 -59.18 1.78 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 124.081 0.952 . . . . 0.0 111.426 148.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.06 75.42 Favored 'General case' 0 C--O 1.208 -1.089 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -168.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.48 -41.23 40.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 109.884 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' B' ' 43' ' ' PHE . 8.8 mm -63.06 -44.96 99.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 123.043 0.537 . . . . 0.0 109.817 176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -68.32 -26.92 65.86 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.323 1.449 . . . . 0.0 113.897 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -57.38 4.58 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.12 1.368 . . . . 0.0 110.885 161.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.262 1.7 mp -65.97 -35.01 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 O-C-N 120.201 -1.562 . . . . 0.0 112.84 -168.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.34 -29.56 69.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 119.759 -1.838 . . . . 0.0 114.092 173.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.87 -33.9 45.42 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.244 1.818 . . . . 0.0 112.01 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.9 mt -66.82 -45.99 86.42 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 C-N-CA 127.021 2.128 . . . . 0.0 108.112 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 59.9 mt -51.21 -48.12 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 O-C-N 118.505 -2.622 . . . . 0.0 114.996 167.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -58.12 -32.96 68.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.022 1.329 . . . . 0.0 112.391 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.74 -41.24 19.49 Favored 'General case' 0 C--O 1.192 -1.942 0 C-N-CA 126.284 1.834 . . . . 0.0 113.289 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.99 -9.35 59.65 Favored Glycine 0 N--CA 1.44 -1.082 0 CA-C-O 117.252 -1.86 . . . . 0.0 116.816 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.07 50.4 60.73 Favored Glycine 0 C--O 1.2 -2.0 0 CA-C-N 120.93 2.365 . . . . 0.0 114.147 164.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' B' ' 31' ' ' ILE . 17.0 m-85 . . . . . 0 C--O 1.197 -1.697 0 C-N-CA 126.85 2.06 . . . . 0.0 113.619 -168.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.83 -25.96 67.45 Favored 'General case' 0 C--O 1.208 -1.086 0 C-N-CA 127.091 2.156 . . . . 0.0 112.221 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.8 -16.58 62.18 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 126.074 1.75 . . . . 0.0 113.602 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' C' ' 65' ' ' PHE . . . -76.04 -43.91 41.65 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.622 -1.18 . . . . 0.0 114.145 -156.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.91 -52.45 60.53 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.421 1.464 . . . . 0.0 112.239 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.96 70.3 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 119.814 -1.804 . . . . 0.0 114.984 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.51 -48.77 16.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.174 0.99 . . . . 0.0 112.234 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 21' ' ' PHE . 5.0 mm -80.22 -34.38 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.714 1.606 . . . . 0.0 110.879 -169.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -73.1 -23.01 60.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.27 -59.42 3.02 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 118.074 0.397 . . . . 0.0 110.6 159.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -38.49 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 117.693 -1.146 . . . . 0.0 111.713 -165.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -26.72 65.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 120.596 1.544 . . . . 0.0 114.281 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.73 -31.91 41.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.588 -1.32 . . . . 0.0 111.402 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.72 -42.18 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 125.055 1.342 . . . . 0.0 109.054 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.401 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 77.7 mt -54.36 -43.71 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 C-N-CA 126.128 1.771 . . . . 0.0 114.181 168.132 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.09 -44.2 20.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.707 1.603 . . . . 0.0 112.624 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.15 11.63 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 117.373 -1.793 . . . . 0.0 116.638 -166.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.21 61.22 4.66 Favored Glycine 0 C--O 1.192 -2.508 0 CA-C-N 119.732 1.766 . . . . 0.0 111.434 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.487 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 m-85 . . . . . 0 N--CA 1.442 -0.872 0 C-N-CA 126.725 2.01 . . . . 0.0 113.886 -170.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -57.01 -27.68 61.81 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 125.129 1.372 . . . . 0.0 113.28 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.06 -2.9 58.76 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.79 1.636 . . . . 0.0 115.179 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 9' ' ' ILE . . . -62.43 -44.75 95.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.645 -164.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -47.09 66.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 119.974 1.261 . . . . 0.0 112.41 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.43 -30.45 66.9 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 126.15 1.78 . . . . 0.0 114.828 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.11 -58.37 3.32 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 120.675 1.579 . . . . 0.0 109.193 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' D' ' 87' ' ' PHE . 16.6 mm -66.64 -39.79 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 123.54 0.736 . . . . 0.0 111.77 -164.071 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.87 -24.12 59.69 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.149 0.979 . . . . 0.0 111.823 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.45 -61.53 1.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.809 1.244 . . . . 0.0 110.687 161.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.73 -51.77 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.409 -166.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.48 17.56 0.27 Allowed 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 121.175 1.807 . . . . 0.0 114.734 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 -37.36 4.05 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 127.555 2.342 . . . . 0.0 111.827 160.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.32 -37.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 126.272 1.829 . . . . 0.0 111.187 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -46.12 -57.84 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 128.964 2.906 . . . . 0.0 110.975 168.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -69.5 -40.59 76.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 128.611 2.764 . . . . 0.0 112.468 -170.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.39 84.31 Favored 'General case' 0 C--O 1.203 -1.347 0 C-N-CA 126.987 2.115 . . . . 0.0 111.978 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.23 46.42 Favored Glycine 1 C--O 1.164 -4.221 0 C-N-CA 124.672 1.129 . . . . 0.0 114.161 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.62 11.37 64.1 Favored Glycine 0 C--O 1.185 -2.949 0 C-N-CA 126.275 1.893 . . . . 0.0 114.285 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.366 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.53 0 C-N-CA 126.58 1.952 . . . . 0.0 114.893 -169.334 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.334 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -56.09 -10.19 0.78 Allowed 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.75 -19.92 0.07 Allowed 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 127.099 2.16 . . . . 0.0 115.153 154.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.38 -48.97 68.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 125.746 1.618 . . . . 0.0 112.521 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -7.17 9.38 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 120.279 -1.513 . . . . 0.0 114.922 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.6 -46.89 6.76 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.839 1.656 . . . . 0.0 112.469 162.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -47.07 54.69 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 119.202 -2.186 . . . . 0.0 110.647 -168.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.19 -44.71 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.831 1.252 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.65 -46.25 90.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.277 1.031 . . . . 0.0 111.58 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -6.85 14.4 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 115.664 1.728 . . . . 0.0 115.664 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.271 0.3 OUTLIER -117.01 -54.51 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.856 2.063 . . . . 0.0 113.008 173.317 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.23 67.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.785 2.084 . . . . 0.0 112.173 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.79 -30.29 45.43 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.961 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.91 -35.86 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 124.027 0.931 . . . . 0.0 109.465 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' B' ' 43' ' ' PHE . 60.9 mt -62.7 -41.47 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.448 1.899 . . . . 0.0 114.496 172.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -57.26 -31.13 65.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.94 1.296 . . . . 0.0 112.304 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.15 11.98 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.492 1.117 . . . . 0.0 113.427 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.86 -43.32 66.79 Favored Glycine 0 C--O 1.208 -1.469 0 C-N-CA 124.413 1.006 . . . . 0.0 114.203 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.8 42.39 Favored Glycine 0 C--O 1.196 -2.276 0 C-N-CA 125.015 1.293 . . . . 0.0 115.336 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.402 ' CD1' HG12 ' B' ' 38' ' ' ILE . 36.4 m-85 . . . . . 0 N--CA 1.437 -1.084 0 C-N-CA 126.76 2.024 . . . . 0.0 116.369 -167.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -48.48 -37.78 18.35 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 119.907 -1.745 . . . . 0.0 112.834 158.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.27 3.98 25.45 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 128.391 2.676 . . . . 0.0 115.194 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ALA . . . . . 0.487 ' O ' HG12 ' C' ' 53' ' ' ILE . . . -64.79 -46.55 81.59 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -164.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.02 -38.96 58.69 Favored 'General case' 0 C--O 1.177 -2.728 0 CA-C-N 119.324 0.965 . . . . 0.0 112.681 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.55 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 120.586 -1.321 . . . . 0.0 113.77 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.96 -49.36 24.9 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 119.865 1.211 . . . . 0.0 112.057 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.487 HG12 ' O ' ' C' ' 49' ' ' ALA . 36.2 mm -63.28 -44.55 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 123.999 0.812 . . . . 0.0 110.958 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -74.32 -20.69 60.02 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.23 -67.02 0.49 Allowed 'General case' 0 N--CA 1.446 -0.651 0 O-C-N 120.937 -1.102 . . . . 0.0 110.846 155.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.293 0.4 OUTLIER -61.31 -51.35 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 121.333 -0.854 . . . . 0.0 112.58 -166.025 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.17 21.07 0.61 Allowed 'General case' 0 N--CA 1.44 -0.949 0 O-C-N 119.493 -2.004 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.92 -44.86 3.0 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.808 2.043 . . . . 0.0 110.609 159.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -57.92 -36.99 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 125.513 1.525 . . . . 0.0 110.569 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.479 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 3.0 mm -46.61 -61.36 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 C-N-CA 126.306 1.842 . . . . 0.0 112.16 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -66.32 -37.03 84.44 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.475 2.71 . . . . 0.0 112.895 -169.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.13 71.28 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 126.227 1.811 . . . . 0.0 111.011 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.29 86.44 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 125.393 1.473 . . . . 0.0 115.503 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.21 7.83 30.1 Favored Glycine 0 C--O 1.202 -1.876 0 C-N-CA 126.187 1.851 . . . . 0.0 115.637 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 2.8 m-85 . . . . . 0 C--O 1.193 -1.908 0 CA-C-N 119.482 1.641 . . . . 0.0 113.773 -173.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.112 0 CA-C-O 122.036 0.922 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -92.33 -32.96 14.79 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 126.647 1.979 . . . . 0.0 113.85 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.43 64.5 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.972 1.709 . . . . 0.0 112.262 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.92 9.08 1.26 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.919 1.688 . . . . 0.0 114.76 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.85 -56.26 2.72 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.259 -1.526 . . . . 0.0 110.644 149.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.24 69.63 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.43 76.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.783 1.278 . . . . 0.0 111.007 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.7 -43.57 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 124.677 1.191 . . . . 0.0 110.521 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.0 -16.48 53.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.33 -72.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 122.067 0.937 . . . . 0.0 111.304 149.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -37.72 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 O-C-N 119.912 -1.743 . . . . 0.0 112.642 -155.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.65 64.87 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 121.053 1.751 . . . . 0.0 113.907 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.21 -35.96 40.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.91 1.284 . . . . 0.0 111.388 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.02 -41.3 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 127.054 2.142 . . . . 0.0 109.302 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.485 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 40.9 mt -52.69 -52.0 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.069 2.148 . . . . 0.0 114.205 166.381 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -59.31 -26.29 64.87 Favored 'General case' 0 C--O 1.209 -1.078 0 C-N-CA 125.331 1.452 . . . . 0.0 113.518 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.0 -41.67 17.03 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.6 1.16 . . . . 0.0 112.979 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -44.22 31.2 Favored Glycine 0 C--O 1.196 -2.251 0 C-N-CA 124.638 1.113 . . . . 0.0 114.196 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.64 24.92 16.69 Favored Glycine 0 C--O 1.209 -1.441 0 C-N-CA 125.032 1.301 . . . . 0.0 114.338 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 9' ' ' ILE . 14.4 m-85 . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 123.539 1.637 . . . . 0.0 113.109 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -1.834 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -49.32 -32.1 10.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 163.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.86 -2.72 41.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.667 1.987 . . . . 0.0 115.91 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.53 20.04 4.19 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 118.801 -2.437 . . . . 0.0 114.861 -168.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.96 -52.04 3.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 120.502 -1.374 . . . . 0.0 109.662 146.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.22 70.2 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 114.684 -172.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.85 69.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.698 1.713 . . . . 0.0 111.837 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' D' ' 87' ' ' PHE . 18.1 mm -72.43 -39.43 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.696 -169.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.97 -22.0 61.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.022 1.729 . . . . 0.0 112.467 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 -64.34 0.93 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.381 0.672 . . . . 0.0 111.297 156.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 9' ' ' ILE . 3.9 tt -65.05 -41.19 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -163.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.5 -30.38 71.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 119.813 1.188 . . . . 0.0 113.205 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.41 52.43 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.735 1.214 . . . . 0.0 112.714 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.54 -39.31 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.63 1.572 . . . . 0.0 109.267 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 46.3 mt -58.48 -45.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 127.207 2.203 . . . . 0.0 112.924 169.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -59.61 -24.36 63.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 114.415 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -49.04 8.61 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 125.126 1.37 . . . . 0.0 111.866 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -42.83 93.18 Favored Glycine 0 C--O 1.199 -2.059 0 CA-C-N 119.599 1.09 . . . . 0.0 115.21 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.65 39.42 48.93 Favored Glycine 0 C--O 1.203 -1.821 0 CA-C-N 119.829 1.815 . . . . 0.0 113.301 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' D' ' 75' ' ' ILE . 79.5 m-85 . . . . . 0 C--O 1.19 -2.042 0 C-N-CA 126.087 1.755 . . . . 0.0 114.953 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.856 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -52.65 -33.17 45.74 Favored 'General case' 0 C--O 1.189 -2.129 0 O-C-N 120.783 -1.198 . . . . 0.0 113.891 160.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.39 -5.73 59.28 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 128.328 2.651 . . . . 0.0 114.621 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.64 43.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.132 -161.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -36.45 33.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.868 1.667 . . . . 0.0 112.791 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.85 97.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 119.887 -1.758 . . . . 0.0 112.564 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.68 64.01 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.127 0.971 . . . . 0.0 111.454 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.11 -50.89 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 122.869 0.468 . . . . 0.0 111.052 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.23 -40.77 91.39 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.36 -4.17 31.74 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.27 0.3 OUTLIER -121.54 -52.37 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 177.429 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.63 67.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 122.078 2.217 . . . . 0.0 112.402 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.0 -26.66 43.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.494 -1.379 . . . . 0.0 110.732 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.63 -39.55 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 119.789 -1.819 . . . . 0.0 109.151 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.03 -45.65 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 124.936 1.294 . . . . 0.0 113.667 167.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.669 1.188 . . . . 0.0 112.609 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 -46.81 13.52 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 124.934 1.293 . . . . 0.0 113.927 167.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.52 -54.68 11.88 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 126.149 1.833 . . . . 0.0 112.847 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.86 50.75 6.24 Favored Glycine 0 N--CA 1.441 -1.028 0 O-C-N 120.483 -1.598 . . . . 0.0 112.306 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.439 ' CB ' HG21 ' C' ' 53' ' ' ILE . 22.1 m-85 . . . . . 0 N--CA 1.436 -1.169 0 C-N-CA 127.931 2.493 . . . . 0.0 113.168 -168.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.407 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -56.34 -27.59 56.37 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.048 1.339 . . . . 0.0 114.208 162.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.45 -4.99 55.83 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.346 1.858 . . . . 0.0 114.639 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.86 87.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.825 -1.172 . . . . 0.0 112.919 -169.034 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.79 -19.94 63.06 Favored 'General case' 0 C--O 1.163 -3.477 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -46.11 20.78 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 127.39 2.276 . . . . 0.0 114.451 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.08 23.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 123.601 1.667 . . . . 0.0 111.045 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ILE . . . . . 0.439 HG21 ' CB ' ' B' ' 43' ' ' PHE . 29.5 mm -69.83 -43.93 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.271 -176.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -71.59 -18.99 62.19 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -68.26 0.39 Allowed 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.218 0.532 . . . . 0.0 110.991 156.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -41.65 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.494 -160.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.8 66.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.52 24.47 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.643 0.777 . . . . 0.0 112.108 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.81 -41.37 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.907 1.683 . . . . 0.0 109.428 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.474 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 25.2 mt -53.73 -46.16 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 125.943 1.697 . . . . 0.0 114.919 168.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -30.15 71.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.625 0.578 . . . . 0.0 112.222 177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.19 30.64 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 124.644 1.178 . . . . 0.0 113.32 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.69 -52.15 48.11 Favored Glycine 0 C--O 1.186 -2.845 0 C-N-CA 124.828 1.204 . . . . 0.0 115.502 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.97 10.72 Favored Glycine 0 C--O 1.206 -1.607 0 C-N-CA 126.15 1.834 . . . . 0.0 114.827 -172.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 87.3 m-85 . . . . . 0 C--O 1.193 -1.876 0 C-N-CA 126.249 1.819 . . . . 0.0 113.452 -171.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.858 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -52.59 -33.12 44.68 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 125.454 1.502 . . . . 0.0 113.48 159.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.32 -3.43 55.33 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.726 2.81 . . . . 0.0 114.237 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.1 15.37 2.86 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 -170.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.88 -54.07 3.32 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.847 -1.783 . . . . 0.0 110.153 148.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.26 -43.56 64.45 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.92 79.67 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 123.4 1.572 . . . . 0.0 111.328 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.505 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.2 mm -75.93 -41.42 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.321 -1.308 . . . . 0.0 111.253 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -72.58 -23.78 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.948 -1.095 . . . . 0.0 112.545 -176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.31 -74.85 0.07 Allowed 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.634 0.73 . . . . 0.0 110.647 152.051 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 tt -68.47 -39.28 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 O-C-N 120.306 -1.496 . . . . 0.0 112.28 -152.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.27 66.38 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 119.98 1.264 . . . . 0.0 113.753 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.09 -36.17 55.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.933 1.293 . . . . 0.0 112.257 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.36 -41.52 80.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 111.349 172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.461 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 31.7 mt -55.28 -47.35 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 125.478 1.511 . . . . 0.0 114.015 169.033 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -57.87 -28.47 64.19 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.443 1.097 . . . . 0.0 111.914 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.82 14.51 Favored 'General case' 0 C--O 1.196 -1.727 0 C-N-CA 126.158 1.783 . . . . 0.0 112.575 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.69 -38.28 57.12 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 127.073 2.273 . . . . 0.0 116.654 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.98 36.55 40.98 Favored Glycine 0 C--O 1.201 -1.914 0 CA-C-N 120.411 2.106 . . . . 0.0 115.53 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 9' ' ' ILE . 57.3 m-85 . . . . . 0 C--O 1.188 -2.169 0 C-N-CA 128.624 2.769 . . . . 0.0 115.694 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.85 -36.66 83.97 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -161.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.4 -3.54 37.58 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 126.198 1.799 . . . . 0.0 115.381 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -53.71 47.98 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -168.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.07 76.35 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 121.768 2.076 . . . . 0.0 112.572 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -39.92 68.27 Favored 'General case' 0 C--O 1.209 -1.032 0 C-N-CA 126.189 1.795 . . . . 0.0 113.261 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.01 -49.63 11.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 123.712 1.72 . . . . 0.0 111.815 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mm -75.8 -32.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.968 1.307 . . . . 0.0 111.129 -165.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -61.28 -41.11 96.39 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 118.693 0.678 . . . . 0.0 110.819 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.96 12.64 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.902 2.081 . . . . 0.0 114.348 174.18 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -49.99 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 126.166 1.786 . . . . 0.0 112.123 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.27 85.13 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 121.391 1.905 . . . . 0.0 113.465 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.11 61.29 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 124.604 1.161 . . . . 0.0 112.544 174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -85.05 -38.75 13.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 125.571 1.549 . . . . 0.0 110.969 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.27 -46.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 126.909 2.083 . . . . 0.0 112.646 165.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -53.38 -29.46 34.74 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 127.576 2.35 . . . . 0.0 111.659 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.44 -51.82 5.51 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.951 1.705 . . . . 0.0 112.753 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.49 -49.68 54.65 Favored Glycine 0 C--O 1.199 -2.072 0 C-N-CA 125.316 1.436 . . . . 0.0 115.731 -171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.72 2.68 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 126.011 1.767 . . . . 0.0 113.234 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' D' ' 75' ' ' ILE . 10.8 m-85 . . . . . 0 C--O 1.205 -1.265 0 C-N-CA 128.15 2.58 . . . . 0.0 114.799 -163.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -56.31 -28.25 58.23 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 164.619 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -8.19 57.34 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 128.116 2.566 . . . . 0.0 114.611 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.83 -43.37 58.95 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -161.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.0 70.31 Favored 'General case' 0 C--O 1.168 -3.231 0 CA-C-N 119.3 0.954 . . . . 0.0 112.161 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.03 67.46 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 119.63 -1.919 . . . . 0.0 112.296 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -72.98 -45.45 57.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.568 -1.958 . . . . 0.0 111.73 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.538 HG21 ' CB ' ' C' ' 65' ' ' PHE . 10.3 mm -76.72 -30.86 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.734 1.614 . . . . 0.0 110.538 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -62.36 -40.82 97.65 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 118.366 0.53 . . . . 0.0 112.029 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.91 26.86 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 127.745 2.418 . . . . 0.0 116.066 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -108.72 -50.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 126.944 2.098 . . . . 0.0 113.87 171.461 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.75 80.83 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 121.762 2.074 . . . . 0.0 113.201 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.24 61.7 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 125.137 1.375 . . . . 0.0 113.281 174.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.15 -36.71 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 126.056 1.743 . . . . 0.0 110.001 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 70.2 mt -50.05 -44.39 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 119.255 -2.153 . . . . 0.0 113.311 163.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -56.25 -28.58 59.02 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.533 1.533 . . . . 0.0 111.566 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.24 -38.7 12.52 Favored 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 125.894 1.678 . . . . 0.0 114.244 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 -24.37 61.76 Favored Glycine 0 C--O 1.2 -2.012 0 C-N-CA 126.275 1.893 . . . . 0.0 116.176 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.57 39.43 68.01 Favored Glycine 0 C--O 1.2 -1.988 0 CA-C-N 120.068 1.934 . . . . 0.0 115.085 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 55.7 m-85 . . . . . 0 C--O 1.204 -1.294 0 C-N-CA 126.641 1.976 . . . . 0.0 115.02 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -71.0 -23.44 62.19 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 125.832 1.653 . . . . 0.0 110.578 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.53 -16.63 60.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.52 2.328 . . . . 0.0 114.464 171.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.56 -46.14 27.6 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 -154.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.77 -50.84 71.08 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 119.862 1.21 . . . . 0.0 111.997 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.08 70.37 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 113.103 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.55 -55.54 11.31 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 119.833 -1.792 . . . . 0.0 110.328 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mt -82.88 -18.69 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.365 1.066 . . . . 0.0 112.88 -165.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.31 -19.74 65.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.098 -1.626 . . . . 0.0 113.734 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.1 -60.8 2.21 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.218 1.007 . . . . 0.0 111.744 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -67.11 -36.86 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 O-C-N 120.389 -1.445 . . . . 0.0 113.712 -163.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.22 67.3 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 119.207 -2.183 . . . . 0.0 115.285 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 -35.77 37.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.88 0.847 . . . . 0.0 110.663 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.0 -46.95 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 C-N-CA 127.351 2.261 . . . . 0.0 108.643 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 58.1 mt -53.48 -48.24 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 114.186 170.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -59.76 -26.61 65.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.03 10.47 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.339 -1.476 . . . . 0.0 113.816 166.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.54 -14.44 79.99 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 116.674 1.429 . . . . 0.0 116.674 -166.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.69 49.14 81.86 Favored Glycine 0 C--O 1.211 -1.298 0 CA-C-N 120.321 2.061 . . . . 0.0 114.086 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' B' ' 31' ' ' ILE . 12.4 m-85 . . . . . 0 C--O 1.188 -2.141 0 C-N-CA 126.288 1.835 . . . . 0.0 114.283 -165.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -65.35 -36.65 84.68 Favored 'General case' 0 C--O 1.206 -1.203 0 O-C-N 120.114 -1.616 . . . . 0.0 111.331 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -18.79 56.68 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.188 1.795 . . . . 0.0 115.314 167.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.74 12.92 5.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.907 -1.746 . . . . 0.0 114.522 -166.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.26 -58.18 2.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.119 1.368 . . . . 0.0 107.724 155.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.35 78.68 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.052 1.741 . . . . 0.0 113.969 -172.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.63 88.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.509 1.924 . . . . 0.0 109.895 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' A' ' 21' ' ' PHE . 10.0 mm -67.87 -42.54 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 126.211 1.805 . . . . 0.0 109.836 -178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.77 -27.73 67.83 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.989 1.315 . . . . 0.0 113.782 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 -62.1 1.76 Allowed 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.524 1.129 . . . . 0.0 110.678 158.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -42.34 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -166.21 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.95 71.42 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 119.672 -1.893 . . . . 0.0 114.234 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -31.65 62.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 119.804 -1.81 . . . . 0.0 113.071 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.74 -42.01 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 126.899 2.08 . . . . 0.0 109.639 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 71.7 mt -57.64 -45.16 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 112.57 171.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -58.38 -25.59 62.23 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.985 1.314 . . . . 0.0 113.383 173.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.74 -44.85 10.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 120.714 -1.241 . . . . 0.0 114.041 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.34 -26.62 32.8 Favored Glycine 1 C--O 1.142 -5.647 0 CA-C-O 116.046 -2.53 . . . . 0.0 117.842 -166.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.25 62.08 4.41 Favored Glycine 0 C--O 1.203 -1.841 0 CA-C-N 123.486 3.643 . . . . 0.0 112.648 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.5 m-85 . . . . . 0 C--O 1.176 -2.768 0 C-N-CA 128.091 2.556 . . . . 0.0 113.404 -169.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.156 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.75 -32.45 69.25 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 126.887 2.075 . . . . 0.0 111.765 172.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 -10.7 56.96 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 128.026 2.531 . . . . 0.0 114.411 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.56 -55.34 28.23 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.37 -164.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.21 -43.19 42.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.68 72.93 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 125.468 1.507 . . . . 0.0 114.919 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' B' ' 34' ' ' ILE . . . -78.54 -40.43 35.0 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 119.872 1.215 . . . . 0.0 111.969 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.68 -50.95 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 121.528 -0.732 . . . . 0.0 111.599 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -74.52 -18.0 60.67 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -76.97 0.06 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 118.121 0.418 . . . . 0.0 111.591 148.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -38.75 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 120.17 -1.581 . . . . 0.0 112.727 -157.086 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.39 64.34 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 121.498 1.954 . . . . 0.0 112.277 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.15 65.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.622 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.12 -40.66 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 125.064 1.346 . . . . 0.0 108.952 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 37.5 mt -54.51 -48.66 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 126.879 2.072 . . . . 0.0 112.912 168.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.8 -30.11 63.38 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 125.027 1.331 . . . . 0.0 112.956 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.63 -41.65 17.57 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 125.664 1.586 . . . . 0.0 114.678 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.09 49.14 Favored Glycine 0 C--O 1.205 -1.707 0 C-N-CA 125.944 1.735 . . . . 0.0 113.956 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.97 26.5 12.5 Favored Glycine 0 C--O 1.214 -1.137 0 C-N-CA 126.049 1.785 . . . . 0.0 114.483 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CB ' HG21 ' D' ' 75' ' ' ILE . 27.1 m-85 . . . . . 0 C--O 1.174 -2.879 0 C-N-CA 126.658 1.983 . . . . 0.0 113.872 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -48.91 -36.14 16.54 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 119.941 1.246 . . . . 0.0 112.172 159.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.08 -1.3 57.78 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 127.002 2.121 . . . . 0.0 115.254 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.78 53.63 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.88 73.38 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 119.564 1.075 . . . . 0.0 111.806 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.44 82.13 Favored 'General case' 0 C--O 1.191 -1.998 0 C-N-CA 125.062 1.345 . . . . 0.0 112.711 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.44 30.61 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.514 1.961 . . . . 0.0 111.765 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.532 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.4 mm -75.96 -37.35 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 C-N-CA 123.937 0.895 . . . . 0.0 110.454 -167.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.26 -21.17 61.42 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 112.725 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.12 -65.04 0.73 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 158.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . 0.452 HD11 ' HB1' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -68.13 -40.05 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.63 -161.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -31.59 72.88 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 120.098 1.317 . . . . 0.0 112.94 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.87 -37.04 49.1 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.969 1.308 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.81 -40.28 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.4 1.88 . . . . 0.0 109.019 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 31.0 mt -59.74 -52.16 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 118.706 -2.496 . . . . 0.0 112.142 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -54.57 -29.02 50.01 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.52 1.528 . . . . 0.0 112.492 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.29 -38.96 17.0 Favored 'General case' 0 C--O 1.196 -1.728 0 N-CA-C 114.374 1.249 . . . . 0.0 114.374 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.88 -20.25 68.49 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 126.792 2.139 . . . . 0.0 118.395 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.86 24.79 66.09 Favored Glycine 0 C--O 1.204 -1.764 0 CA-C-N 118.598 1.199 . . . . 0.0 114.229 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 95.2 m-85 . . . . . 0 C--O 1.207 -1.173 0 C-N-CA 126.324 1.85 . . . . 0.0 115.46 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . 0.266 . . . . . . . 0 N--CA 1.434 -1.267 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.41 -32.15 73.63 Favored 'General case' 0 C--O 1.189 -2.083 0 C-N-CA 126.023 1.729 . . . . 0.0 111.595 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -16.07 61.44 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 129.382 3.073 . . . . 0.0 113.515 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -58.9 6.18 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.569 0.622 . . . . 0.0 112.083 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.05 0.59 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.662 1.585 . . . . 0.0 114.776 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.33 -58.74 2.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 120.937 1.699 . . . . 0.0 111.319 149.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.77 -62.36 1.75 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.905 2.082 . . . . 0.0 115.21 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -22.24 16.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 O-C-N 120.038 -1.664 . . . . 0.0 111.498 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.73 56.59 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 125.84 1.656 . . . . 0.0 109.873 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.79 52.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 123.992 0.807 . . . . 0.0 110.121 163.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -38.65 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 O-C-N 121.17 -0.956 . . . . 0.0 113.018 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.07 75.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 120.378 -1.451 . . . . 0.0 114.437 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.9 74.06 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 125.719 1.608 . . . . 0.0 111.415 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.11 -46.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.837 2.855 . . . . 0.0 110.015 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 72.5 mt -53.24 -46.9 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 127.256 2.222 . . . . 0.0 115.697 169.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -56.23 -26.98 53.27 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 124.704 1.252 . . . . 0.0 112.725 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.01 -39.36 12.26 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 126.516 1.926 . . . . 0.0 114.781 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.16 -15.55 71.79 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 127.325 2.393 . . . . 0.0 118.36 -171.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.2 44.86 93.25 Favored Glycine 0 C--O 1.187 -2.801 0 CA-C-N 121.729 2.765 . . . . 0.0 114.191 167.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.532 ' CB ' HG21 ' B' ' 31' ' ' ILE . 58.6 m-85 . . . . . 0 C--O 1.203 -1.373 0 C-N-CA 127.465 2.306 . . . . 0.0 113.624 -169.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.9 -30.1 69.98 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.738 -1.851 . . . . 0.0 112.96 165.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.22 -7.22 22.2 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 127.804 2.442 . . . . 0.0 115.183 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.13 16.13 4.56 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 118.026 -2.921 . . . . 0.0 117.21 -166.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.02 -52.3 3.2 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.138 0.273 . . . . 0.0 110.887 147.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.28 72.45 Favored 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 125.935 1.694 . . . . 0.0 114.103 -173.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.65 77.9 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 125.507 1.523 . . . . 0.0 110.741 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 75' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.3 mm -64.83 -46.53 91.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 125.633 1.573 . . . . 0.0 110.846 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.06 -26.42 67.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 117.957 -1.02 . . . . 0.0 113.23 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.38 -64.43 0.86 Allowed 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 123.696 0.798 . . . . 0.0 111.973 159.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.295 0.2 OUTLIER -58.45 -49.98 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -170.114 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.29 17.82 0.6 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.06 1.344 . . . . 0.0 114.082 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.33 -37.59 3.73 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.224 1.81 . . . . 0.0 111.866 159.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.81 -31.21 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.236 -2.165 . . . . 0.0 110.543 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . 1.2 mm -51.98 -56.18 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 128.973 2.909 . . . . 0.0 112.833 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.89 -34.23 76.25 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 127.659 2.384 . . . . 0.0 113.562 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.66 64.29 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 128.318 2.647 . . . . 0.0 113.084 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.91 -30.77 60.93 Favored Glycine 0 C--O 1.169 -3.927 0 C-N-CA 125.764 1.65 . . . . 0.0 114.098 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.87 6.25 58.18 Favored Glycine 0 N--CA 1.418 -2.53 0 C-N-CA 126.885 2.184 . . . . 0.0 113.902 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' D' ' 82' ' ' ILE . 1.6 m-85 . . . . . 0 C--O 1.201 -1.485 0 CA-C-N 118.152 0.976 . . . . 0.0 111.816 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -51.56 -34.16 35.59 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 125.918 1.687 . . . . 0.0 112.182 160.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.02 -3.91 58.37 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 127.249 2.219 . . . . 0.0 114.615 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.08 -52.39 65.12 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 120.03 1.286 . . . . 0.0 111.886 -162.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.53 61.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 120.023 1.283 . . . . 0.0 113.383 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.37 83.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.6 -44.48 28.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.314 1.046 . . . . 0.0 110.909 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' D' ' 87' ' ' PHE . 24.7 mm -68.9 -46.74 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.678 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.93 -23.91 60.75 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.181 0.593 . . . . 0.0 112.35 -170.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.17 -69.03 0.24 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 122.538 1.161 . . . . 0.0 114.098 156.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.283 4.3 tt -59.41 -53.66 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 O-C-N 120.855 -1.153 . . . . 0.0 113.263 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.47 9.63 1.01 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 122.078 2.217 . . . . 0.0 115.339 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.32 -40.69 5.75 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.975 2.11 . . . . 0.0 111.002 162.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.66 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 127.498 2.319 . . . . 0.0 111.399 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -40.51 -60.6 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 C-N-CA 129.471 3.108 . . . . 0.0 111.26 170.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -66.92 -39.34 87.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.253 2.621 . . . . 0.0 113.923 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.77 -32.84 70.09 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 126.813 2.045 . . . . 0.0 112.087 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.93 -61.15 3.37 Favored Glycine 0 C--O 1.198 -2.153 0 O-C-N 120.671 -1.268 . . . . 0.0 112.804 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.04 3.03 10.94 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 125.334 1.445 . . . . 0.0 115.381 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.32 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.696 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -174.528 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.885 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -51.66 -30.49 21.89 Favored 'General case' 0 C--O 1.211 -0.956 0 C-N-CA 125.195 1.398 . . . . 0.0 113.718 159.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.33 0.81 56.53 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 127.698 2.399 . . . . 0.0 116.536 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.26 4.02 32.82 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -168.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.88 -54.05 5.15 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 121.709 2.049 . . . . 0.0 108.998 150.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.88 79.53 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.304 1.841 . . . . 0.0 114.052 -170.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.95 80.84 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 122.087 0.946 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' C' ' 65' ' ' PHE . 22.1 mm -82.09 -40.24 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.571 1.549 . . . . 0.0 110.766 -174.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -78.93 -18.69 53.38 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -76.55 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.119 0.961 . . . . 0.0 111.272 145.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.66 -39.57 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 120.76 -1.213 . . . . 0.0 113.613 -153.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.34 64.6 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 120.547 1.522 . . . . 0.0 114.469 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.98 27.91 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.168 1.787 . . . . 0.0 112.338 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.19 -39.33 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 126.236 1.814 . . . . 0.0 109.154 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 24.9 mt -56.86 -45.97 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 120.125 -1.609 . . . . 0.0 115.154 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.668 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -49.06 10.29 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 119.529 1.059 . . . . 0.0 112.841 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.08 98.6 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 116.94 1.536 . . . . 0.0 116.94 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.08 41.85 25.98 Favored Glycine 0 C--O 1.207 -1.555 0 C-N-CA 126.432 1.968 . . . . 0.0 114.428 -172.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 84.5 m-85 . . . . . 0 C--O 1.202 -1.443 0 C-N-CA 126.117 1.767 . . . . 0.0 115.157 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.185 -2.328 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -109.01 -13.92 14.64 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.874 2.47 . . . . 0.0 113.923 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.28 -9.07 59.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.88 -60.59 3.16 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.958 1.303 . . . . 0.0 114.008 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -33.47 69.79 Favored 'General case' 0 C--O 1.205 -1.279 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.46 -28.4 63.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 124.889 1.276 . . . . 0.0 112.332 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' D' ' 78' ' ' ILE . . . -74.81 -82.21 0.07 Allowed 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 119.87 1.213 . . . . 0.0 112.039 161.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -24.5 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -155.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -36.84 12.73 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.101 -169.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.46 -48.08 72.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.976 0.91 . . . . 0.0 109.206 159.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.02 -35.87 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 O-C-N 120.332 -1.48 . . . . 0.0 114.193 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.04 70.33 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 120.039 1.291 . . . . 0.0 113.823 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.21 -35.09 48.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.87 1.668 . . . . 0.0 113.593 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.93 -36.26 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.3 1.84 . . . . 0.0 111.057 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' C' ' 65' ' ' PHE . 43.5 mt -60.05 -45.55 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 126.68 1.992 . . . . 0.0 113.804 168.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -55.92 -26.04 45.85 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 125.72 1.608 . . . . 0.0 113.156 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.37 8.93 Favored 'General case' 0 C--O 1.191 -2.016 0 C-N-CA 125.849 1.659 . . . . 0.0 113.76 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.05 -21.97 77.41 Favored Glycine 0 N--CA 1.434 -1.434 0 C-N-CA 126.42 1.962 . . . . 0.0 115.609 -171.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.71 26.97 61.73 Favored Glycine 0 C--O 1.203 -1.792 0 CA-C-N 121.957 2.878 . . . . 0.0 114.374 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' B' ' 31' ' ' ILE . 70.5 m-85 . . . . . 0 C--O 1.197 -1.71 0 C-N-CA 128.16 2.584 . . . . 0.0 112.617 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.005 0 CA-C-O 121.985 0.898 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -58.86 -27.77 65.49 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 120.37 -1.457 . . . . 0.0 114.212 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.96 -1.98 8.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.406 2.283 . . . . 0.0 114.929 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.92 18.93 0.92 Allowed 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.67 -45.08 3.4 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.207 0.603 . . . . 0.0 111.824 150.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.43 85.77 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.814 1.645 . . . . 0.0 115.354 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -34.29 75.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.525 0.679 . . . . 0.0 110.434 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mm -71.12 -44.36 74.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 124.707 1.203 . . . . 0.0 111.837 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -63.45 -33.76 76.26 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.7 1.54 26.1 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 127.37 2.268 . . . . 0.0 115.661 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 78' ' ' ILE . . . . . 0.401 HG13 ' HB1' ' C' ' 52' ' ' ALA 0.252 16.4 tt -118.77 -51.32 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 121.101 1.773 . . . . 0.0 113.293 167.158 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.34 72.49 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.08 58.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.74 1.216 . . . . 0.0 113.523 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.18 -41.25 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 125.679 1.591 . . . . 0.0 107.669 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 82' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 25.8 mt -54.68 -47.47 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.082 2.153 . . . . 0.0 113.349 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.85 -30.49 61.55 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 111.808 173.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.92 -34.93 15.87 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.79 -27.89 52.48 Favored Glycine 0 C--O 1.211 -1.308 0 O-C-N 120.527 -1.358 . . . . 0.0 114.322 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.81 36.68 66.13 Favored Glycine 0 C--O 1.207 -1.591 0 CA-C-N 120.363 2.082 . . . . 0.0 112.681 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 87' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 96.6 m-85 . . . . . 0 N--CA 1.438 -1.065 0 C-N-CA 127.262 2.225 . . . . 0.0 114.683 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.97 2.79 0.07 Allowed 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -49.29 -37.13 22.87 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 119.779 1.172 . . . . 0.0 113.521 159.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.05 -2.89 36.36 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.449 2.7 . . . . 0.0 116.397 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.24 70.26 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -163.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -48.77 63.59 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 120.46 1.482 . . . . 0.0 112.559 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.63 76.52 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 127.082 2.153 . . . . 0.0 113.894 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -77.88 -49.19 14.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.037 1.399 . . . . 0.0 112.676 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' HG22 ' A' ' 12' ' ' ILE . 4.6 mm -75.54 -34.11 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 111.084 -166.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -71.04 -21.42 62.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.816 0.847 . . . . 0.0 112.576 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 -61.82 1.64 Allowed 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 161.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 9' ' ' ILE 0.252 15.9 tt -63.67 -43.79 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 O-C-N 119.918 -1.739 . . . . 0.0 112.894 -167.07 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.24 68.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.356 1.889 . . . . 0.0 114.012 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.69 -37.73 49.02 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -68.98 -36.93 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.242 1.417 . . . . 0.0 111.19 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 mt -53.65 -48.98 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 128.736 2.814 . . . . 0.0 114.408 168.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -60.89 -28.76 69.13 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.7 1.2 . . . . 0.0 111.583 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.62 -46.42 13.31 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-N 119.663 1.12 . . . . 0.0 112.68 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.39 78.6 Favored Glycine 0 C--O 1.198 -2.096 0 C-N-CA 125.558 1.551 . . . . 0.0 115.097 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.87 6.08 Favored Glycine 0 C--O 1.2 -2.01 0 CA-C-O 122.393 0.996 . . . . 0.0 114.178 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' HB3' HG21 ' D' ' 75' ' ' ILE . 72.8 m-85 -64.07 -54.6 31.59 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 127.385 2.274 . . . . 0.0 115.487 -175.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.929 0 O-C-N 121.645 -0.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.858 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -1.76 0.78 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -47.78 -35.53 10.16 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 119.841 -1.787 . . . . 0.0 114.125 163.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.97 -1.24 38.66 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 128.295 2.638 . . . . 0.0 115.02 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.82 6.08 33.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -165.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.22 -55.34 3.57 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.868 1.213 . . . . 0.0 111.134 152.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.08 72.46 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 126.54 1.936 . . . . 0.0 113.954 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 12' ' ' ILE . . . -72.78 -34.45 66.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.071 -1.643 . . . . 0.0 113.049 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mm -80.94 -37.47 16.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 109.2 -171.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -56.03 -38.81 71.06 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.558 1.143 . . . . 0.0 110.255 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.35 3.36 11.17 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 8' ' ' ALA . 18.8 tt -122.19 -45.08 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 126.101 1.76 . . . . 0.0 112.642 163.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.54 68.3 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 122.23 2.286 . . . . 0.0 114.322 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.94 -21.65 54.49 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 124.44 1.096 . . . . 0.0 113.514 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.32 -37.46 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 125.29 1.436 . . . . 0.0 110.531 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 37.6 mt -49.03 -47.42 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 127.254 2.222 . . . . 0.0 111.941 164.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -52.0 -38.29 56.24 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.796 1.639 . . . . 0.0 113.664 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.62 -47.11 15.99 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 124.643 1.177 . . . . 0.0 112.901 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -49.23 49.34 Favored Glycine 0 C--O 1.204 -1.774 0 C-N-CA 126.133 1.825 . . . . 0.0 114.954 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.06 43.96 6.9 Favored Glycine 0 C--O 1.216 -1.018 0 CA-C-N 119.082 1.441 . . . . 0.0 112.948 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 24.3 m-85 -62.62 -48.43 79.42 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 127.415 2.286 . . . . 0.0 112.859 -168.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 O-C-N 119.125 -2.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 3.09 0.72 Allowed 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 125.573 1.549 . . . . 0.0 114.234 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -51.73 -30.97 24.53 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 126.625 1.97 . . . . 0.0 113.663 165.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 -10.15 58.67 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.669 1.988 . . . . 0.0 115.629 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.62 58.85 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.86 -55.83 30.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.119 0.968 . . . . 0.0 110.7 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.76 -19.76 65.98 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.85 4.25 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 123.11 1.433 . . . . 0.0 109.87 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 mt -84.89 -18.19 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.675 -1.891 . . . . 0.0 112.607 -164.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -70.45 -19.1 62.99 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 119.28 0.946 . . . . 0.0 113.178 171.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.3 2.4 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.869 1.268 . . . . 0.0 111.197 153.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -65.69 -36.81 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 120.523 -1.361 . . . . 0.0 114.547 -162.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -30.59 71.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 119.633 1.106 . . . . 0.0 113.647 173.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.5 41.55 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.449 2.299 . . . . 0.0 111.927 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.94 -35.68 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 128.733 2.813 . . . . 0.0 109.154 171.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.449 HG12 ' CD1' ' C' ' 65' ' ' PHE . 52.7 mt -60.99 -45.06 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 O-C-N 119.521 -1.987 . . . . 0.0 114.184 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.06 -23.43 67.44 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.495 -1.24 . . . . 0.0 113.912 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.19 -41.4 18.48 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 126.683 1.993 . . . . 0.0 113.306 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' GLY . . . . . 0.411 ' O ' ' H3 ' ' D' ' 67' ' ' ACE . . . -68.81 -61.34 4.72 Favored Glycine 0 C--O 1.192 -2.476 0 C-N-CA 124.834 1.207 . . . . 0.0 114.697 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.02 37.04 6.91 Favored Glycine 0 C--O 1.208 -1.494 0 C-N-CA 126.859 2.171 . . . . 0.0 114.333 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.449 ' CD1' HG12 ' C' ' 60' ' ' ILE . 72.3 m-85 -50.56 -64.17 0.89 Allowed 'General case' 0 C--O 1.196 -1.731 0 C-N-CA 128.382 2.673 . . . . 0.0 115.336 -170.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.083 0 O-C-N 120.6 -1.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 67' ' ' ACE . . . . . 0.411 ' H3 ' ' O ' ' C' ' 63' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.447 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.27 4.0 1.92 Allowed 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.743 0.817 . . . . 0.0 113.046 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -45.25 -35.02 3.12 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 125.8 1.64 . . . . 0.0 114.168 159.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.41 57.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.593 2.357 . . . . 0.0 114.006 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.82 74.28 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.228 -1.545 . . . . 0.0 114.368 -167.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -21.98 66.37 Favored 'General case' 0 C--O 1.174 -2.89 0 O-C-N 120.946 -1.097 . . . . 0.0 113.068 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.43 -32.55 32.61 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 127.139 2.176 . . . . 0.0 113.237 172.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.23 -54.85 4.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 120.701 1.591 . . . . 0.0 110.856 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' PHE . 8.6 mm -69.89 -42.99 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.008 -165.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -75.04 -23.79 58.17 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.401 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.03 -59.8 2.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 124.172 0.92 . . . . 0.0 110.937 158.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -38.21 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 O-C-N 120.512 -1.368 . . . . 0.0 113.557 -164.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.82 64.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.756 1.616 . . . . 0.0 114.145 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.82 -36.89 41.88 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.66 -41.66 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.246 1.418 . . . . 0.0 110.109 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.436 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 70.2 mt -54.08 -48.47 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 O-C-N 119.42 -2.05 . . . . 0.0 115.187 167.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.65 -33.24 54.53 Favored 'General case' 0 C--O 1.206 -1.184 0 C-N-CA 125.168 1.387 . . . . 0.0 112.45 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.02 -37.34 19.04 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.935 1.694 . . . . 0.0 113.943 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.37 -66.85 1.82 Allowed Glycine 0 C--O 1.209 -1.44 0 C-N-CA 125.028 1.299 . . . . 0.0 114.246 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.77 53.45 1.8 Allowed Glycine 0 C--O 1.186 -2.905 0 C-N-CA 125.002 1.287 . . . . 0.0 112.762 -168.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' D' ' 82' ' ' ILE . 13.7 m-85 -65.87 -50.69 63.62 Favored 'General case' 0 C--O 1.182 -2.476 0 C-N-CA 127.822 2.449 . . . . 0.0 114.588 -164.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.126 0 O-C-N 119.677 -1.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.9 5.05 0.1 Allowed 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 126.063 1.745 . . . . 0.0 113.258 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -53.13 -30.63 37.93 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 121.359 1.89 . . . . 0.0 113.229 157.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.24 3.43 43.14 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 127.344 2.257 . . . . 0.0 116.269 174.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.34 -55.17 26.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -160.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.38 69.16 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.26 74.59 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.105 -0.997 . . . . 0.0 113.078 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.69 -83.17 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 118.928 0.785 . . . . 0.0 112.466 164.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -23.16 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 120.569 -1.332 . . . . 0.0 112.058 -154.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -97.27 -29.61 13.45 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 118.097 0.408 . . . . 0.0 111.017 -168.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.82 -53.5 57.1 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 157.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.251 1.6 mp -60.17 -36.29 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.37 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.51 76.0 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.4 63.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 112.96 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.48 -41.49 83.22 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 C-N-CA 125.152 1.381 . . . . 0.0 109.108 173.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 65.9 mt -56.17 -49.03 78.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 128.86 2.864 . . . . 0.0 114.829 169.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -53.56 -33.31 54.28 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.278 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.44 24.86 Favored 'General case' 0 C--O 1.185 -2.323 0 O-C-N 119.735 -1.853 . . . . 0.0 114.468 169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.8 -15.19 55.24 Favored Glycine 0 C--O 1.199 -2.061 0 N-CA-C 118.251 2.06 . . . . 0.0 118.251 -166.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.47 44.22 90.68 Favored Glycine 1 C--O 1.162 -4.347 0 CA-C-N 120.056 1.928 . . . . 0.0 113.979 169.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.524 ' CB ' HG21 ' D' ' 75' ' ' ILE . 66.8 m-85 -67.88 -47.71 68.11 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 127.584 2.354 . . . . 0.0 116.502 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.527 0 O-C-N 119.0 -2.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.926 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 54.6 11.07 0.4 Allowed 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.477 1.911 . . . . 0.0 114.936 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.0 -27.55 68.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 O-C-N 119.738 -1.851 . . . . 0.0 110.66 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.35 -6.83 48.65 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 128.212 2.605 . . . . 0.0 114.672 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.84 21.07 2.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 -166.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.16 -47.79 3.36 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.208 1.003 . . . . 0.0 111.594 148.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.97 78.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.389 2.275 . . . . 0.0 113.25 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.75 78.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.295 1.045 . . . . 0.0 110.703 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.78 -43.11 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 C-N-CA 123.72 0.808 . . . . 0.0 109.902 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.97 -21.71 60.81 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.565 1.146 . . . . 0.0 112.846 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.79 -66.83 0.5 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.166 0.986 . . . . 0.0 112.382 157.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.73 -48.44 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.004 -167.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.97 11.72 1.03 Allowed 'General case' 0 C--O 1.191 -2.004 0 CA-C-N 120.554 1.525 . . . . 0.0 114.845 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.26 -41.56 5.51 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.951 2.1 . . . . 0.0 113.822 157.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.61 -39.61 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 127.374 2.269 . . . . 0.0 112.014 173.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 43' ' ' PHE . 4.0 mm -44.4 -60.93 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 C-N-CA 131.09 3.756 . . . . 0.0 111.374 167.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.08 -37.67 84.38 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 128.931 2.892 . . . . 0.0 111.521 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.91 -37.91 61.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.559 2.344 . . . . 0.0 112.803 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -58.74 11.49 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 124.563 1.078 . . . . 0.0 112.712 168.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.9 17.11 9.9 Favored Glycine 0 C--O 1.196 -2.263 0 C-N-CA 126.429 1.966 . . . . 0.0 114.344 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' B' ' 38' ' ' ILE . 0.0 OUTLIER -102.97 -5.38 23.5 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 126.561 1.945 . . . . 0.0 114.005 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.739 0 O-C-N 119.225 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 4.81 0.41 Allowed 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.997 1.719 . . . . 0.0 114.491 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -56.57 -35.33 68.06 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 119.927 -1.733 . . . . 0.0 113.896 157.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.23 19.04 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 128.464 2.705 . . . . 0.0 115.478 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.97 51.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 120.722 -1.236 . . . . 0.0 114.185 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -12.19 22.26 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 120.616 1.553 . . . . 0.0 113.992 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.95 -45.68 10.03 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.3 -2.125 . . . . 0.0 115.487 162.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.17 66.44 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.109 -1.619 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.36 -42.24 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.007 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.68 -36.13 80.12 Favored 'General case' 0 C--O 1.194 -1.837 0 C-N-CA 124.685 1.194 . . . . 0.0 113.443 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.96 -7.46 53.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.253 0.3 OUTLIER -108.6 -60.58 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.89 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -8.76 57.18 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 122.799 2.545 . . . . 0.0 115.502 -164.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.66 -28.74 19.27 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 123.804 0.842 . . . . 0.0 113.233 164.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.61 -40.55 28.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 128.761 2.824 . . . . 0.0 110.989 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.546 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 29.2 mm -33.44 -57.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 128.74 2.816 . . . . 0.0 112.241 164.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -71.79 -40.3 69.32 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 127.992 2.517 . . . . 0.0 112.587 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.44 78.7 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 125.646 1.579 . . . . 0.0 112.078 172.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.49 -54.01 8.07 Favored Glycine 0 C--O 1.215 -1.068 0 O-C-N 124.167 0.917 . . . . 0.0 112.655 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.29 30.35 5.99 Favored Glycine 0 C--O 1.189 -2.667 0 C-N-CA 127.459 2.457 . . . . 0.0 112.845 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' C' ' 60' ' ' ILE 0.299 0.1 OUTLIER -106.09 -15.75 14.8 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 120.649 2.224 . . . . 0.0 115.591 -173.257 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 117.848 0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.944 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.69 -0.79 0.69 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -55.05 -26.29 36.51 Favored 'General case' 0 C--O 1.212 -0.918 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 166.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.54 52.82 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 128.371 2.669 . . . . 0.0 114.788 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.9 81.67 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -163.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.34 71.19 Favored 'General case' 1 C--O 1.117 -5.903 0 O-C-N 119.922 -1.736 . . . . 0.0 112.782 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.5 -38.42 71.17 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 117.843 -3.036 . . . . 0.0 113.656 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.88 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.48 1.512 . . . . 0.0 110.046 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 21' ' ' PHE . 10.6 mm -72.28 -37.66 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.244 1.818 . . . . 0.0 110.644 -173.107 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -73.8 -21.35 60.18 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.81 0.78 Allowed 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 119.205 0.911 . . . . 0.0 110.496 155.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -42.19 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 120.471 -1.393 . . . . 0.0 112.959 -165.005 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.87 73.21 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.82 -29.92 29.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.968 1.366 . . . . 0.0 111.965 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.94 -39.07 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 119.474 -2.016 . . . . 0.0 108.649 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 23.6 mt -51.8 -52.68 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 125.561 1.544 . . . . 0.0 112.454 165.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.63 -26.98 57.42 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -49.31 9.71 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.999 1.72 . . . . 0.0 112.712 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.76 92.71 Favored Glycine 0 C--O 1.203 -1.783 0 C-N-CA 126.23 1.872 . . . . 0.0 114.83 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.47 40.03 10.35 Favored Glycine 0 C--O 1.19 -2.655 0 C-N-CA 126.434 1.968 . . . . 0.0 112.138 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 75.4 m-85 -56.57 -31.38 64.16 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 126.9 2.08 . . . . 0.0 114.468 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.951 0 O-C-N 119.072 -2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.45 9.8 0.18 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 127.625 2.37 . . . . 0.0 114.632 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -63.52 -28.78 70.18 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.866 1.666 . . . . 0.0 111.884 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -11.67 61.05 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.125 2.97 . . . . 0.0 114.916 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 12.44 10.68 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -166.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.07 -54.35 3.76 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 119.512 -1.992 . . . . 0.0 110.622 146.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.8 67.79 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.758 1.623 . . . . 0.0 114.298 -173.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.24 61.02 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.24 1.019 . . . . 0.0 110.364 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' D' ' 87' ' ' PHE . 14.4 mm -66.51 -43.54 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.542 1.537 . . . . 0.0 111.709 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -67.49 -27.41 66.98 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 124.823 1.249 . . . . 0.0 114.282 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.4 -64.71 0.81 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 118.453 0.57 . . . . 0.0 111.176 157.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -43.18 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-O 116.224 -1.846 . . . . 0.0 112.745 -163.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.94 73.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 122.706 2.503 . . . . 0.0 113.952 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.63 58.39 Favored 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 124.263 1.025 . . . . 0.0 113.22 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -66.75 -44.1 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 126.194 1.798 . . . . 0.0 111.329 170.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 21' ' ' PHE . 46.2 mt -55.55 -41.31 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.618 2.367 . . . . 0.0 113.715 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -60.82 -27.84 68.35 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 124.914 1.286 . . . . 0.0 112.928 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.71 -41.78 14.83 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 124.17 0.988 . . . . 0.0 111.956 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.46 -48.5 36.58 Favored Glycine 0 N--CA 1.436 -1.352 0 O-C-N 120.549 -1.345 . . . . 0.0 116.452 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 28.91 47.83 Favored Glycine 0 C--O 1.197 -2.171 0 C-N-CA 126.834 2.159 . . . . 0.0 117.387 -171.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CD1' HG12 ' A' ' 16' ' ' ILE . 74.2 m-85 -41.87 -62.67 0.86 Allowed 'General case' 0 C--O 1.182 -2.485 0 C-N-CA 128.54 2.736 . . . . 0.0 114.835 -174.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.89 0 O-C-N 120.253 -1.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.849 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.9 88.63 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 127.428 2.291 . . . . 0.0 114.024 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -126.34 -9.56 6.36 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 126.975 2.11 . . . . 0.0 113.855 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 -1.55 16.4 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.343 1.457 . . . . 0.0 114.211 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.424 ' O ' HG12 ' B' ' 31' ' ' ILE . . . -57.08 -55.49 34.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.903 -1.123 . . . . 0.0 112.412 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.29 63.6 Favored 'General case' 0 C--O 1.164 -3.402 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.43 78.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 -47.88 16.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.698 1.599 . . . . 0.0 112.588 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 65' ' ' PHE . 13.6 mm -59.99 -50.04 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 O-C-N 121.743 -0.598 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.94 -29.16 68.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 124.729 1.212 . . . . 0.0 113.262 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.81 -2.04 57.84 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 113.654 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -56.92 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-O 115.136 -2.364 . . . . 0.0 111.675 172.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.68 91.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 123.617 2.917 . . . . 0.0 113.033 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.93 64.51 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.4 -41.94 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.341 1.856 . . . . 0.0 111.977 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -56.51 -43.96 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 125.8 1.64 . . . . 0.0 112.419 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -55.48 -26.58 43.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.205 1.402 . . . . 0.0 114.519 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -35.62 11.03 Favored 'General case' 1 C--O 1.145 -4.404 0 C-N-CA 125.235 1.414 . . . . 0.0 114.419 167.215 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.92 -13.81 58.68 Favored Glycine 0 C--N 1.294 -1.795 0 O-C-N 118.28 -2.763 . . . . 0.0 117.367 -166.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.9 52.9 47.14 Favored Glycine 0 C--O 1.178 -3.366 0 CA-C-N 121.219 2.509 . . . . 0.0 114.754 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.87 -57.28 4.18 Favored 'General case' 0 C--O 1.198 -1.638 0 C-N-CA 127.134 2.174 . . . . 0.0 112.911 -162.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.509 0 O-C-N 119.104 -2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -2.8 2.73 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -45.04 -38.35 4.82 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-N 120.669 1.577 . . . . 0.0 113.417 157.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.36 -5.1 51.23 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 128.562 2.745 . . . . 0.0 114.633 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -48.88 73.83 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.001 -1.687 . . . . 0.0 115.343 -167.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.89 70.79 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 120.943 1.701 . . . . 0.0 112.194 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.18 76.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.548 1.539 . . . . 0.0 114.773 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.6 17.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.348 1.547 . . . . 0.0 112.55 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.92 -33.78 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.361 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -67.14 -24.83 65.95 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 118.061 -0.971 . . . . 0.0 113.018 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.83 -64.49 0.88 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 118.386 0.539 . . . . 0.0 111.48 159.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -37.87 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -167.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.82 61.69 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.2 34.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.9 1.68 . . . . 0.0 112.58 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.45 -40.38 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 125.692 1.597 . . . . 0.0 108.758 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 32.9 mt -51.15 -50.38 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.124 1.77 . . . . 0.0 114.672 167.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -61.78 -25.95 67.78 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.72 -49.51 10.36 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.662 1.185 . . . . 0.0 113.125 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.31 -38.62 93.84 Favored Glycine 0 C--O 1.208 -1.469 0 O-C-N 120.653 -1.279 . . . . 0.0 115.565 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.67 42.16 9.28 Favored Glycine 0 C--O 1.188 -2.732 0 C-N-CA 124.901 1.238 . . . . 0.0 113.742 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.517 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 63.4 m-85 -62.48 -57.3 11.69 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 126.915 2.086 . . . . 0.0 112.154 -166.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.966 0 O-C-N 121.479 -0.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.856 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.52 -5.86 0.4 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.62 -28.25 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.14 -2.225 . . . . 0.0 114.196 162.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.53 -5.01 53.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 127.881 2.472 . . . . 0.0 115.597 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.92 61.32 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -159.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.57 87.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 120.338 1.426 . . . . 0.0 111.991 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.06 89.7 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.39 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.04 85.85 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.478 1.49 . . . . 0.0 112.672 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.95 -17.0 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.922 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.46 -19.62 62.95 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 118.451 0.569 . . . . 0.0 111.654 168.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.15 -68.55 0.38 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.091 0.956 . . . . 0.0 111.266 153.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -39.79 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 120.61 -1.306 . . . . 0.0 113.059 -160.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.59 67.41 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.92 -33.59 33.99 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 121.12 -0.987 . . . . 0.0 112.121 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.13 -43.18 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 126.016 1.726 . . . . 0.0 108.823 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 54.2 mt -49.69 -48.34 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 C-N-CA 126.631 1.972 . . . . 0.0 115.846 168.645 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.43 -30.45 68.49 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.545 1.138 . . . . 0.0 113.793 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.67 -50.78 10.12 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 124.654 1.182 . . . . 0.0 111.123 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.9 -35.74 80.07 Favored Glycine 0 C--O 1.21 -1.398 0 CA-C-N 120.32 1.418 . . . . 0.0 116.191 -173.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.58 23.03 29.65 Favored Glycine 0 C--O 1.202 -1.859 0 C-N-CA 125.379 1.466 . . . . 0.0 115.261 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.528 ' CB ' HG21 ' A' ' 9' ' ' ILE . 16.7 m-85 -60.39 167.66 2.43 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 118.256 -2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.33 59.77 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.005 1.322 . . . . 0.0 113.988 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.81 -18.18 60.99 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 125.335 1.454 . . . . 0.0 114.864 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.61 31.75 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 126.536 1.934 . . . . 0.0 113.447 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.44 70.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.78 77.46 Favored 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.41 69.21 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -82.85 -55.21 4.54 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.51 1.959 . . . . 0.0 112.863 170.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.513 HG21 ' CB ' ' D' ' 87' ' ' PHE . 10.2 mm -71.81 -40.54 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 123.991 0.916 . . . . 0.0 109.922 -164.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.9 -22.35 62.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.96 -69.74 0.3 Allowed 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 157.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -36.55 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 O-C-N 121.373 -0.83 . . . . 0.0 113.095 -161.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.27 63.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.464 1.484 . . . . 0.0 114.29 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -33.06 22.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.516 1.126 . . . . 0.0 111.832 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.32 -42.34 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 126.167 1.787 . . . . 0.0 109.144 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.505 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 16.7 mt -55.61 -47.18 79.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 CA-C-N 121.076 1.762 . . . . 0.0 113.396 169.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -58.94 -28.62 66.44 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.09 11.02 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 126.206 1.802 . . . . 0.0 112.669 171.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.4 90.25 Favored Glycine 0 C--O 1.205 -1.675 0 CA-C-N 120.338 1.426 . . . . 0.0 114.857 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 29.63 11.74 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 124.547 1.07 . . . . 0.0 114.466 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 32.7 m-85 -62.46 174.56 0.94 Allowed 'General case' 0 C--O 1.171 -3.041 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.025 0 O-C-N 118.527 -2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.821 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -9.74 3.21 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -45.54 -32.8 2.42 Favored 'General case' 0 N--CA 1.438 -1.072 0 O-C-N 120.278 -1.514 . . . . 0.0 114.645 159.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.49 51.37 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.074 2.949 . . . . 0.0 114.705 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -60.87 3.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -166.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.41 54.22 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 118.983 0.81 . . . . 0.0 111.78 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.75 84.19 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.66 -46.02 33.81 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.86 -1.15 . . . . 0.0 112.605 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.27 -37.47 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.663 -172.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.24 -40.46 90.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 121.832 -0.543 . . . . 0.0 112.02 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -2.72 9.64 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.497 HG13 ' HB1' ' A' ' 8' ' ' ALA 0.284 20.8 tt -117.86 -50.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 120.466 -1.396 . . . . 0.0 112.295 165.714 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.96 69.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 121.977 2.171 . . . . 0.0 114.61 -169.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.4 -21.95 38.62 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-O 122.442 1.115 . . . . 0.0 113.718 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.29 -39.55 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 126.826 2.05 . . . . 0.0 108.87 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.402 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 28.1 mt -53.37 -48.67 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 126.23 1.812 . . . . 0.0 112.031 170.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -51.95 -28.77 17.76 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.373 1.869 . . . . 0.0 114.623 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.52 -48.36 7.99 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 124.292 1.037 . . . . 0.0 113.583 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.94 97.57 Favored Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 126.399 1.952 . . . . 0.0 114.891 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.98 52.98 16.42 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-N 121.251 2.526 . . . . 0.0 112.802 -174.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CB ' HG21 ' C' ' 53' ' ' ILE . 67.6 m-85 -71.3 -56.91 5.07 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 127.608 2.363 . . . . 0.0 113.283 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.521 -1.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.54 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.08 1.25 2.89 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -46.78 -35.78 6.58 Favored 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.502 157.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.75 -4.55 59.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.191 2.197 . . . . 0.0 114.313 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.95 59.49 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.68 -36.58 72.13 Favored 'General case' 1 C--O 1.149 -4.194 0 CA-C-N 120.683 1.583 . . . . 0.0 112.41 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.69 75.39 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 118.904 -2.373 . . . . 0.0 115.398 170.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.09 64.63 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.577 1.655 . . . . 0.0 112.099 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' B' ' 43' ' ' PHE . 6.7 mm -80.14 -36.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 113.032 -1.894 . . . . 0.0 110.316 -170.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -65.91 -23.71 66.69 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.79 -67.74 0.4 Allowed 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 119.545 1.066 . . . . 0.0 110.846 156.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' D' ' 74' ' ' ALA . 0.0 OUTLIER -64.66 -40.79 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-O 117.859 -1.067 . . . . 0.0 112.752 -163.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.76 65.65 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 121.867 2.122 . . . . 0.0 114.466 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.4 32.67 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.798 1.639 . . . . 0.0 111.728 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.56 -40.69 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 126.298 1.839 . . . . 0.0 109.016 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 41.1 mt -54.91 -51.18 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 127.004 2.122 . . . . 0.0 113.836 168.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.36 -26.87 54.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.402 1.481 . . . . 0.0 112.585 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.57 13.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.657 1.583 . . . . 0.0 113.807 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.01 -52.02 9.55 Favored Glycine 0 C--O 1.204 -1.738 0 O-C-N 120.474 -1.391 . . . . 0.0 115.374 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 38.99 6.2 Favored Glycine 0 C--O 1.177 -3.409 0 C-N-CA 124.285 0.945 . . . . 0.0 113.884 -173.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 71.8 m-85 -57.1 -51.71 68.2 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 128.952 2.901 . . . . 0.0 115.841 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.151 0 O-C-N 121.314 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.936 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.7 4.23 0.43 Allowed 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 126.059 1.744 . . . . 0.0 114.478 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -47.51 -39.06 15.2 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 124.86 1.264 . . . . 0.0 113.608 160.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.96 -0.72 28.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 129.569 3.148 . . . . 0.0 115.472 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.32 7.1 20.47 Favored 'General case' 0 C--O 1.202 -1.443 0 O-C-N 118.401 -2.687 . . . . 0.0 114.886 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.51 -58.04 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 121.351 1.887 . . . . 0.0 109.956 149.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.71 70.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.988 1.315 . . . . 0.0 114.03 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 74' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' C' ' 56' ' ' ILE . . . -74.84 -42.27 58.29 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 120.409 -1.432 . . . . 0.0 112.218 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PHE . 14.9 mm -70.26 -42.49 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 124.761 1.224 . . . . 0.0 110.674 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.47 -23.59 61.07 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.742 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.56 -68.4 0.36 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 119.643 1.111 . . . . 0.0 109.922 156.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -39.27 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 O-C-N 120.021 -1.674 . . . . 0.0 112.842 -158.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.41 73.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 120.155 1.343 . . . . 0.0 113.599 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.839 2.055 . . . . 0.0 113.019 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.57 -43.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 125.655 1.582 . . . . 0.0 110.124 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 37.8 mt -55.69 -47.41 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.99 -29.01 4.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.441 1.496 . . . . 0.0 114.169 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -44.11 9.68 Favored 'General case' 0 C--O 1.201 -1.456 0 C-N-CA 126.675 1.99 . . . . 0.0 113.603 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -40.39 82.14 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 125.319 1.438 . . . . 0.0 114.988 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.25 24.41 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 119.852 1.826 . . . . 0.0 115.25 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.513 ' CB ' HG21 ' A' ' 9' ' ' ILE . 86.0 m-85 -62.6 -55.07 30.53 Favored 'General case' 0 C--O 1.2 -1.522 0 C-N-CA 126.536 1.934 . . . . 0.0 115.177 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.275 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.286 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.65 7.63 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 126.508 1.923 . . . . 0.0 115.126 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.33 -25.84 66.1 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.568 -1.958 . . . . 0.0 112.953 168.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.99 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 114.259 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.74 34.05 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -154.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.96 66.9 Favored 'General case' 1 C--O 1.133 -5.058 0 O-C-N 121.172 -0.955 . . . . 0.0 112.861 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.58 -37.51 31.14 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 122.641 2.473 . . . . 0.0 113.299 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.9 -41.85 28.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.383 1.563 . . . . 0.0 111.388 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' D' ' 87' ' ' PHE . 8.0 mm -74.77 -40.44 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 110.987 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.16 -26.17 62.87 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.62 -61.41 2.1 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.694 0.797 . . . . 0.0 111.291 161.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.265 0.4 OUTLIER -61.68 -41.11 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 O-C-N 120.858 -1.151 . . . . 0.0 111.603 -171.116 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.23 75.2 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 113.567 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.41 -35.14 54.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.292 -2.13 . . . . 0.0 111.324 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.18 -38.77 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 C-N-CA 126.7 2.0 . . . . 0.0 108.929 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 68.0 mt -55.42 -50.94 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 113.402 166.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -57.76 -29.04 64.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.174 0.989 . . . . 0.0 111.66 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -47.04 14.4 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 120.082 -1.636 . . . . 0.0 113.404 169.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.08 -16.61 59.09 Favored Glycine 0 C--O 1.185 -2.928 0 CA-C-O 117.827 -1.541 . . . . 0.0 116.73 -162.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 62.27 5.0 Favored Glycine 0 C--O 1.199 -2.035 0 CA-C-N 122.077 2.939 . . . . 0.0 112.865 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CB ' HG21 ' D' ' 75' ' ' ILE . 11.2 m-85 -76.59 -35.09 58.35 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -168.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.613 0 O-C-N 121.755 -0.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.264 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 52.94 12.73 0.3 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.686 1.994 . . . . 0.0 115.874 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -67.38 -25.84 66.16 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.735 1.614 . . . . 0.0 111.676 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 -12.76 60.64 Favored 'General case' 0 C--O 1.208 -1.099 0 C-N-CA 126.533 1.933 . . . . 0.0 114.38 170.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.54 61.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.74 76.47 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 121.018 1.736 . . . . 0.0 112.333 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -24.77 67.91 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.15 8.03 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 120.545 1.52 . . . . 0.0 111.97 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.51 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.0 mm -75.8 -36.58 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 125.097 1.359 . . . . 0.0 110.757 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -67.06 -28.62 68.35 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.111 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 -56.59 8.2 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.76 163.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -39.03 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 120.113 1.324 . . . . 0.0 111.682 -168.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.61 69.19 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 120.146 1.339 . . . . 0.0 113.898 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.61 -37.72 62.76 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 119.508 1.049 . . . . 0.0 111.795 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.68 -46.88 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.736 2.014 . . . . 0.0 109.818 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.501 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 66.4 mt -52.36 -50.93 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 O-C-N 118.168 -2.833 . . . . 0.0 113.343 168.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.65 -26.15 61.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.641 1.176 . . . . 0.0 114.163 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.96 -42.16 12.65 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 125.593 1.557 . . . . 0.0 114.107 168.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.94 -9.9 58.0 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 127.381 2.42 . . . . 0.0 116.764 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.97 57.87 14.16 Favored Glycine 0 C--O 1.21 -1.374 0 CA-C-N 120.869 2.335 . . . . 0.0 113.527 167.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 10.3 m-85 -69.46 -51.59 34.67 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 120.798 -1.413 . . . . 0.0 113.19 -166.376 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 119.22 -2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 3.28 0.58 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -58.6 -34.31 70.97 Favored 'General case' 0 C--O 1.194 -1.83 0 C-N-CA 125.699 1.6 . . . . 0.0 113.408 162.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.62 66.06 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 127.08 2.152 . . . . 0.0 113.688 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . . . -79.47 1.28 26.18 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -176.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.11 -59.18 1.78 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 124.081 0.952 . . . . 0.0 111.426 148.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.06 75.42 Favored 'General case' 0 C--O 1.208 -1.089 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -168.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.48 -41.23 40.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 109.884 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' B' ' 43' ' ' PHE . 8.8 mm -63.06 -44.96 99.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 123.043 0.537 . . . . 0.0 109.817 176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -68.32 -26.92 65.86 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.323 1.449 . . . . 0.0 113.897 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -57.38 4.58 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.12 1.368 . . . . 0.0 110.885 161.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.262 1.7 mp -65.97 -35.01 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 O-C-N 120.201 -1.562 . . . . 0.0 112.84 -168.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.34 -29.56 69.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 119.759 -1.838 . . . . 0.0 114.092 173.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.87 -33.9 45.42 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.244 1.818 . . . . 0.0 112.01 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.9 mt -66.82 -45.99 86.42 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 C-N-CA 127.021 2.128 . . . . 0.0 108.112 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 59.9 mt -51.21 -48.12 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 O-C-N 118.505 -2.622 . . . . 0.0 114.996 167.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -58.12 -32.96 68.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.022 1.329 . . . . 0.0 112.391 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.74 -41.24 19.49 Favored 'General case' 0 C--O 1.192 -1.942 0 C-N-CA 126.284 1.834 . . . . 0.0 113.289 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.99 -9.35 59.65 Favored Glycine 0 N--CA 1.44 -1.082 0 CA-C-O 117.252 -1.86 . . . . 0.0 116.816 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.07 50.4 60.73 Favored Glycine 0 C--O 1.2 -2.0 0 CA-C-N 120.93 2.365 . . . . 0.0 114.147 164.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' B' ' 31' ' ' ILE . 17.0 m-85 -69.09 -40.19 78.56 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 126.85 2.06 . . . . 0.0 113.619 -168.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 O-C-N 118.369 -2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 52.01 10.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 127.631 2.372 . . . . 0.0 115.917 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.83 -25.96 67.45 Favored 'General case' 0 C--O 1.208 -1.086 0 C-N-CA 127.091 2.156 . . . . 0.0 112.221 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.8 -16.58 62.18 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 126.074 1.75 . . . . 0.0 113.602 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' C' ' 65' ' ' PHE . . . -76.04 -43.91 41.65 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.622 -1.18 . . . . 0.0 114.145 -156.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.91 -52.45 60.53 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.421 1.464 . . . . 0.0 112.239 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.96 70.3 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 119.814 -1.804 . . . . 0.0 114.984 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.51 -48.77 16.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.174 0.99 . . . . 0.0 112.234 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 21' ' ' PHE . 5.0 mm -80.22 -34.38 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.714 1.606 . . . . 0.0 110.879 -169.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -73.1 -23.01 60.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.27 -59.42 3.02 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 118.074 0.397 . . . . 0.0 110.6 159.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -38.49 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 117.693 -1.146 . . . . 0.0 111.713 -165.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -26.72 65.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 120.596 1.544 . . . . 0.0 114.281 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.73 -31.91 41.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.588 -1.32 . . . . 0.0 111.402 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.72 -42.18 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 125.055 1.342 . . . . 0.0 109.054 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.401 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 77.7 mt -54.36 -43.71 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 C-N-CA 126.128 1.771 . . . . 0.0 114.181 168.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.09 -44.2 20.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.707 1.603 . . . . 0.0 112.624 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.15 11.63 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 117.373 -1.793 . . . . 0.0 116.638 -166.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.21 61.22 4.66 Favored Glycine 0 C--O 1.192 -2.508 0 CA-C-N 119.732 1.766 . . . . 0.0 111.434 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.487 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 m-85 -66.51 -36.11 81.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.725 2.01 . . . . 0.0 113.886 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.644 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.453 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.93 5.79 0.21 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.536 1.135 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -57.01 -27.68 61.81 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 125.129 1.372 . . . . 0.0 113.28 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.06 -2.9 58.76 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.79 1.636 . . . . 0.0 115.179 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 9' ' ' ILE . . . -62.43 -44.75 95.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.645 -164.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -47.09 66.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 119.974 1.261 . . . . 0.0 112.41 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.43 -30.45 66.9 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 126.15 1.78 . . . . 0.0 114.828 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.11 -58.37 3.32 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 120.675 1.579 . . . . 0.0 109.193 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' D' ' 87' ' ' PHE . 16.6 mm -66.64 -39.79 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 123.54 0.736 . . . . 0.0 111.77 -164.071 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.87 -24.12 59.69 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.149 0.979 . . . . 0.0 111.823 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.45 -61.53 1.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.809 1.244 . . . . 0.0 110.687 161.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.73 -51.77 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.409 -166.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.48 17.56 0.27 Allowed 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 121.175 1.807 . . . . 0.0 114.734 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 -37.36 4.05 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 127.555 2.342 . . . . 0.0 111.827 160.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.32 -37.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 126.272 1.829 . . . . 0.0 111.187 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -46.12 -57.84 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 128.964 2.906 . . . . 0.0 110.975 168.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -69.5 -40.59 76.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 128.611 2.764 . . . . 0.0 112.468 -170.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.39 84.31 Favored 'General case' 0 C--O 1.203 -1.347 0 C-N-CA 126.987 2.115 . . . . 0.0 111.978 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.23 46.42 Favored Glycine 1 C--O 1.164 -4.221 0 C-N-CA 124.672 1.129 . . . . 0.0 114.161 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.62 11.37 64.1 Favored Glycine 0 C--O 1.185 -2.949 0 C-N-CA 126.275 1.893 . . . . 0.0 114.285 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.366 0.0 OUTLIER -99.43 -5.69 29.01 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 126.58 1.952 . . . . 0.0 114.893 -169.334 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.093 0 O-C-N 119.721 -1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.231 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.52 159.48 1.48 Allowed 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 130.247 3.419 . . . . 0.0 114.805 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -56.09 -10.19 0.78 Allowed 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.75 -19.92 0.07 Allowed 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 127.099 2.16 . . . . 0.0 115.153 154.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.38 -48.97 68.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 125.746 1.618 . . . . 0.0 112.521 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -7.17 9.38 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 120.279 -1.513 . . . . 0.0 114.922 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.6 -46.89 6.76 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.839 1.656 . . . . 0.0 112.469 162.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -47.07 54.69 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 119.202 -2.186 . . . . 0.0 110.647 -168.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.19 -44.71 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.831 1.252 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.65 -46.25 90.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.277 1.031 . . . . 0.0 111.58 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -6.85 14.4 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 115.664 1.728 . . . . 0.0 115.664 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.271 0.3 OUTLIER -117.01 -54.51 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.856 2.063 . . . . 0.0 113.008 173.317 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.23 67.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.785 2.084 . . . . 0.0 112.173 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.79 -30.29 45.43 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.961 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.91 -35.86 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 124.027 0.931 . . . . 0.0 109.465 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' B' ' 43' ' ' PHE . 60.9 mt -62.7 -41.47 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.448 1.899 . . . . 0.0 114.496 172.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -57.26 -31.13 65.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.94 1.296 . . . . 0.0 112.304 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.15 11.98 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.492 1.117 . . . . 0.0 113.427 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.86 -43.32 66.79 Favored Glycine 0 C--O 1.208 -1.469 0 C-N-CA 124.413 1.006 . . . . 0.0 114.203 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.8 42.39 Favored Glycine 0 C--O 1.196 -2.276 0 C-N-CA 125.015 1.293 . . . . 0.0 115.336 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.402 ' CD1' HG12 ' B' ' 38' ' ' ILE . 36.4 m-85 -55.01 -53.67 52.85 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 126.76 2.024 . . . . 0.0 116.369 -167.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 O-C-N 120.867 -1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -1.71 0.73 Allowed 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.703 1.601 . . . . 0.0 114.825 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -48.48 -37.78 18.35 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 119.907 -1.745 . . . . 0.0 112.834 158.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.27 3.98 25.45 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 128.391 2.676 . . . . 0.0 115.194 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ALA . . . . . 0.487 ' O ' HG12 ' C' ' 53' ' ' ILE . . . -64.79 -46.55 81.59 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -164.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.02 -38.96 58.69 Favored 'General case' 0 C--O 1.177 -2.728 0 CA-C-N 119.324 0.965 . . . . 0.0 112.681 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.55 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 120.586 -1.321 . . . . 0.0 113.77 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.96 -49.36 24.9 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 119.865 1.211 . . . . 0.0 112.057 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.487 HG12 ' O ' ' C' ' 49' ' ' ALA . 36.2 mm -63.28 -44.55 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 123.999 0.812 . . . . 0.0 110.958 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -74.32 -20.69 60.02 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.23 -67.02 0.49 Allowed 'General case' 0 N--CA 1.446 -0.651 0 O-C-N 120.937 -1.102 . . . . 0.0 110.846 155.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.293 0.4 OUTLIER -61.31 -51.35 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 121.333 -0.854 . . . . 0.0 112.58 -166.025 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.17 21.07 0.61 Allowed 'General case' 0 N--CA 1.44 -0.949 0 O-C-N 119.493 -2.004 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.92 -44.86 3.0 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.808 2.043 . . . . 0.0 110.609 159.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -57.92 -36.99 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 125.513 1.525 . . . . 0.0 110.569 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.479 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 3.0 mm -46.61 -61.36 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 C-N-CA 126.306 1.842 . . . . 0.0 112.16 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -66.32 -37.03 84.44 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.475 2.71 . . . . 0.0 112.895 -169.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.13 71.28 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 126.227 1.811 . . . . 0.0 111.011 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.29 86.44 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 125.393 1.473 . . . . 0.0 115.503 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.21 7.83 30.1 Favored Glycine 0 C--O 1.202 -1.876 0 C-N-CA 126.187 1.851 . . . . 0.0 115.637 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 2.8 m-85 -63.2 -51.85 64.67 Favored 'General case' 0 C--O 1.193 -1.908 0 CA-C-N 119.482 1.641 . . . . 0.0 113.773 -173.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.161 0 O-C-N 118.784 -2.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 67' ' ' ACE . . . . . 0.423 ' H3 ' ' HB3' ' D' ' 70' ' ' ALA . . . . . . . . 0 C--O 1.213 -0.863 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.77 16.83 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 126.734 2.014 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -92.33 -32.96 14.79 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 126.647 1.979 . . . . 0.0 113.85 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 70' ' ' ALA . . . . . 0.423 ' HB3' ' H3 ' ' D' ' 67' ' ' ACE . . . -63.19 -19.43 64.5 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.972 1.709 . . . . 0.0 112.262 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.92 9.08 1.26 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.919 1.688 . . . . 0.0 114.76 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.85 -56.26 2.72 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.259 -1.526 . . . . 0.0 110.644 149.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.24 69.63 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.43 76.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.783 1.278 . . . . 0.0 111.007 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.7 -43.57 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 124.677 1.191 . . . . 0.0 110.521 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.0 -16.48 53.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.33 -72.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 122.067 0.937 . . . . 0.0 111.304 149.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -37.72 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 O-C-N 119.912 -1.743 . . . . 0.0 112.642 -155.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.65 64.87 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 121.053 1.751 . . . . 0.0 113.907 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.21 -35.96 40.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.91 1.284 . . . . 0.0 111.388 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.02 -41.3 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 127.054 2.142 . . . . 0.0 109.302 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.485 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 40.9 mt -52.69 -52.0 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.069 2.148 . . . . 0.0 114.205 166.381 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -59.31 -26.29 64.87 Favored 'General case' 0 C--O 1.209 -1.078 0 C-N-CA 125.331 1.452 . . . . 0.0 113.518 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.0 -41.67 17.03 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.6 1.16 . . . . 0.0 112.979 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -44.22 31.2 Favored Glycine 0 C--O 1.196 -2.251 0 C-N-CA 124.638 1.113 . . . . 0.0 114.196 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.64 24.92 16.69 Favored Glycine 0 C--O 1.209 -1.441 0 C-N-CA 125.032 1.301 . . . . 0.0 114.338 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 9' ' ' ILE . 14.4 m-85 -63.56 166.45 6.76 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 123.539 1.637 . . . . 0.0 113.109 174.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 O-C-N 118.543 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.73 -0.72 0.31 Allowed 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -49.32 -32.1 10.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 163.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.86 -2.72 41.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.667 1.987 . . . . 0.0 115.91 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.53 20.04 4.19 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 118.801 -2.437 . . . . 0.0 114.861 -168.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.96 -52.04 3.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 120.502 -1.374 . . . . 0.0 109.662 146.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.22 70.2 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 114.684 -172.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.85 69.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.698 1.713 . . . . 0.0 111.837 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' D' ' 87' ' ' PHE . 18.1 mm -72.43 -39.43 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.696 -169.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.97 -22.0 61.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.022 1.729 . . . . 0.0 112.467 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 -64.34 0.93 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.381 0.672 . . . . 0.0 111.297 156.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 9' ' ' ILE . 3.9 tt -65.05 -41.19 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -163.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.5 -30.38 71.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 119.813 1.188 . . . . 0.0 113.205 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.41 52.43 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.735 1.214 . . . . 0.0 112.714 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.54 -39.31 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.63 1.572 . . . . 0.0 109.267 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 46.3 mt -58.48 -45.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 127.207 2.203 . . . . 0.0 112.924 169.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -59.61 -24.36 63.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 114.415 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -49.04 8.61 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 125.126 1.37 . . . . 0.0 111.866 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -42.83 93.18 Favored Glycine 0 C--O 1.199 -2.059 0 CA-C-N 119.599 1.09 . . . . 0.0 115.21 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.65 39.42 48.93 Favored Glycine 0 C--O 1.203 -1.821 0 CA-C-N 119.829 1.815 . . . . 0.0 113.301 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' D' ' 75' ' ' ILE . 79.5 m-85 -54.89 -55.44 30.51 Favored 'General case' 0 C--O 1.19 -2.042 0 C-N-CA 126.087 1.755 . . . . 0.0 114.953 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.624 0 O-C-N 119.253 -2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -3.63 1.69 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.301 1.041 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -52.65 -33.17 45.74 Favored 'General case' 0 C--O 1.189 -2.129 0 O-C-N 120.783 -1.198 . . . . 0.0 113.891 160.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.39 -5.73 59.28 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 128.328 2.651 . . . . 0.0 114.621 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.64 43.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.132 -161.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -36.45 33.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.868 1.667 . . . . 0.0 112.791 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.85 97.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 119.887 -1.758 . . . . 0.0 112.564 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.68 64.01 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.127 0.971 . . . . 0.0 111.454 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.11 -50.89 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 122.869 0.468 . . . . 0.0 111.052 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.23 -40.77 91.39 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.36 -4.17 31.74 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.27 0.3 OUTLIER -121.54 -52.37 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 177.429 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.63 67.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 122.078 2.217 . . . . 0.0 112.402 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.0 -26.66 43.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.494 -1.379 . . . . 0.0 110.732 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.63 -39.55 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 119.789 -1.819 . . . . 0.0 109.151 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.03 -45.65 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 124.936 1.294 . . . . 0.0 113.667 167.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.669 1.188 . . . . 0.0 112.609 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 -46.81 13.52 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 124.934 1.293 . . . . 0.0 113.927 167.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.52 -54.68 11.88 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 126.149 1.833 . . . . 0.0 112.847 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.86 50.75 6.24 Favored Glycine 0 N--CA 1.441 -1.028 0 O-C-N 120.483 -1.598 . . . . 0.0 112.306 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.439 ' CB ' HG21 ' C' ' 53' ' ' ILE . 22.1 m-85 -57.49 -56.89 15.97 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 127.931 2.493 . . . . 0.0 113.168 -168.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.677 0 O-C-N 121.024 -1.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.87 -6.92 6.69 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -56.34 -27.59 56.37 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.048 1.339 . . . . 0.0 114.208 162.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.45 -4.99 55.83 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.346 1.858 . . . . 0.0 114.639 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.86 87.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.825 -1.172 . . . . 0.0 112.919 -169.034 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.79 -19.94 63.06 Favored 'General case' 0 C--O 1.163 -3.477 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -46.11 20.78 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 127.39 2.276 . . . . 0.0 114.451 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.08 23.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 123.601 1.667 . . . . 0.0 111.045 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ILE . . . . . 0.439 HG21 ' CB ' ' B' ' 43' ' ' PHE . 29.5 mm -69.83 -43.93 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.271 -176.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -71.59 -18.99 62.19 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -68.26 0.39 Allowed 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.218 0.532 . . . . 0.0 110.991 156.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -41.65 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.494 -160.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.8 66.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.52 24.47 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.643 0.777 . . . . 0.0 112.108 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.81 -41.37 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.907 1.683 . . . . 0.0 109.428 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.474 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 25.2 mt -53.73 -46.16 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 125.943 1.697 . . . . 0.0 114.919 168.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -30.15 71.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.625 0.578 . . . . 0.0 112.222 177.139 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.19 30.64 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 124.644 1.178 . . . . 0.0 113.32 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.69 -52.15 48.11 Favored Glycine 0 C--O 1.186 -2.845 0 C-N-CA 124.828 1.204 . . . . 0.0 115.502 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.97 10.72 Favored Glycine 0 C--O 1.206 -1.607 0 C-N-CA 126.15 1.834 . . . . 0.0 114.827 -172.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 87.3 m-85 -59.21 -56.66 19.36 Favored 'General case' 0 C--O 1.193 -1.876 0 C-N-CA 126.249 1.819 . . . . 0.0 113.452 -171.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.817 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.89 -1.92 0.34 Allowed 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -52.59 -33.12 44.68 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 125.454 1.502 . . . . 0.0 113.48 159.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.32 -3.43 55.33 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.726 2.81 . . . . 0.0 114.237 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.1 15.37 2.86 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 -170.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.88 -54.07 3.32 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.847 -1.783 . . . . 0.0 110.153 148.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.26 -43.56 64.45 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.92 79.67 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 123.4 1.572 . . . . 0.0 111.328 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.505 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.2 mm -75.93 -41.42 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.321 -1.308 . . . . 0.0 111.253 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -72.58 -23.78 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.948 -1.095 . . . . 0.0 112.545 -176.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.31 -74.85 0.07 Allowed 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.634 0.73 . . . . 0.0 110.647 152.051 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 tt -68.47 -39.28 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 O-C-N 120.306 -1.496 . . . . 0.0 112.28 -152.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.27 66.38 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 119.98 1.264 . . . . 0.0 113.753 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.09 -36.17 55.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.933 1.293 . . . . 0.0 112.257 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.36 -41.52 80.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 111.349 172.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.461 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 31.7 mt -55.28 -47.35 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 125.478 1.511 . . . . 0.0 114.015 169.033 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -57.87 -28.47 64.19 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.443 1.097 . . . . 0.0 111.914 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.82 14.51 Favored 'General case' 0 C--O 1.196 -1.727 0 C-N-CA 126.158 1.783 . . . . 0.0 112.575 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.69 -38.28 57.12 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 127.073 2.273 . . . . 0.0 116.654 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.98 36.55 40.98 Favored Glycine 0 C--O 1.201 -1.914 0 CA-C-N 120.411 2.106 . . . . 0.0 115.53 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 9' ' ' ILE . 57.3 m-85 -52.68 -53.34 48.78 Favored 'General case' 0 C--O 1.188 -2.169 0 C-N-CA 128.624 2.769 . . . . 0.0 115.694 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.225 0 O-C-N 118.968 -2.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.675 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.71 -129.04 2.34 Favored 'General case' 0 N--CA 1.437 -1.104 1 C-N-CA 132.11 4.164 . . . . 0.0 115.447 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.85 -36.66 83.97 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -161.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.4 -3.54 37.58 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 126.198 1.799 . . . . 0.0 115.381 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -53.71 47.98 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -168.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.07 76.35 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 121.768 2.076 . . . . 0.0 112.572 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -39.92 68.27 Favored 'General case' 0 C--O 1.209 -1.032 0 C-N-CA 126.189 1.795 . . . . 0.0 113.261 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.01 -49.63 11.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 123.712 1.72 . . . . 0.0 111.815 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mm -75.8 -32.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.968 1.307 . . . . 0.0 111.129 -165.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -61.28 -41.11 96.39 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 118.693 0.678 . . . . 0.0 110.819 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.96 12.64 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.902 2.081 . . . . 0.0 114.348 174.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -49.99 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 126.166 1.786 . . . . 0.0 112.123 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.27 85.13 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 121.391 1.905 . . . . 0.0 113.465 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.11 61.29 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 124.604 1.161 . . . . 0.0 112.544 174.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -85.05 -38.75 13.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 125.571 1.549 . . . . 0.0 110.969 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.27 -46.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 126.909 2.083 . . . . 0.0 112.646 165.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -53.38 -29.46 34.74 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 127.576 2.35 . . . . 0.0 111.659 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.44 -51.82 5.51 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.951 1.705 . . . . 0.0 112.753 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.49 -49.68 54.65 Favored Glycine 0 C--O 1.199 -2.072 0 C-N-CA 125.316 1.436 . . . . 0.0 115.731 -171.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.72 2.68 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 126.011 1.767 . . . . 0.0 113.234 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' D' ' 75' ' ' ILE . 10.8 m-85 -65.15 -48.38 73.72 Favored 'General case' 0 C--O 1.205 -1.265 0 C-N-CA 128.15 2.58 . . . . 0.0 114.799 -163.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.046 0 O-C-N 120.309 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.704 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 4.84 0.75 Allowed 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -56.31 -28.25 58.23 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 164.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -8.19 57.34 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 128.116 2.566 . . . . 0.0 114.611 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.83 -43.37 58.95 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -161.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.0 70.31 Favored 'General case' 0 C--O 1.168 -3.231 0 CA-C-N 119.3 0.954 . . . . 0.0 112.161 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.03 67.46 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 119.63 -1.919 . . . . 0.0 112.296 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -72.98 -45.45 57.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.568 -1.958 . . . . 0.0 111.73 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.538 HG21 ' CB ' ' C' ' 65' ' ' PHE . 10.3 mm -76.72 -30.86 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.734 1.614 . . . . 0.0 110.538 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -62.36 -40.82 97.65 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 118.366 0.53 . . . . 0.0 112.029 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.91 26.86 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 127.745 2.418 . . . . 0.0 116.066 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -108.72 -50.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 126.944 2.098 . . . . 0.0 113.87 171.461 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.75 80.83 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 121.762 2.074 . . . . 0.0 113.201 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.24 61.7 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 125.137 1.375 . . . . 0.0 113.281 174.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.15 -36.71 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 126.056 1.743 . . . . 0.0 110.001 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 70.2 mt -50.05 -44.39 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 119.255 -2.153 . . . . 0.0 113.311 163.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -56.25 -28.58 59.02 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.533 1.533 . . . . 0.0 111.566 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.24 -38.7 12.52 Favored 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 125.894 1.678 . . . . 0.0 114.244 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 -24.37 61.76 Favored Glycine 0 C--O 1.2 -2.012 0 C-N-CA 126.275 1.893 . . . . 0.0 116.176 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.57 39.43 68.01 Favored Glycine 0 C--O 1.2 -1.988 0 CA-C-N 120.068 1.934 . . . . 0.0 115.085 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 55.7 m-85 -62.72 -58.13 8.55 Favored 'General case' 0 C--O 1.204 -1.294 0 C-N-CA 126.641 1.976 . . . . 0.0 115.02 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 O-C-N 121.119 -0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.32 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.72 13.9 0.25 Allowed 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -71.0 -23.44 62.19 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 125.832 1.653 . . . . 0.0 110.578 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.53 -16.63 60.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.52 2.328 . . . . 0.0 114.464 171.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.56 -46.14 27.6 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 -154.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.77 -50.84 71.08 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 119.862 1.21 . . . . 0.0 111.997 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.08 70.37 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 113.103 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.55 -55.54 11.31 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 119.833 -1.792 . . . . 0.0 110.328 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mt -82.88 -18.69 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.365 1.066 . . . . 0.0 112.88 -165.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.31 -19.74 65.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.098 -1.626 . . . . 0.0 113.734 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.1 -60.8 2.21 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.218 1.007 . . . . 0.0 111.744 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -67.11 -36.86 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 O-C-N 120.389 -1.445 . . . . 0.0 113.712 -163.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.22 67.3 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 119.207 -2.183 . . . . 0.0 115.285 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 -35.77 37.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.88 0.847 . . . . 0.0 110.663 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.0 -46.95 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 C-N-CA 127.351 2.261 . . . . 0.0 108.643 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 58.1 mt -53.48 -48.24 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 114.186 170.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -59.76 -26.61 65.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.03 10.47 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.339 -1.476 . . . . 0.0 113.816 166.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.54 -14.44 79.99 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 116.674 1.429 . . . . 0.0 116.674 -166.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.69 49.14 81.86 Favored Glycine 0 C--O 1.211 -1.298 0 CA-C-N 120.321 2.061 . . . . 0.0 114.086 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' B' ' 31' ' ' ILE . 12.4 m-85 -63.15 -39.69 95.41 Favored 'General case' 0 C--O 1.188 -2.141 0 C-N-CA 126.288 1.835 . . . . 0.0 114.283 -165.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 120.438 1.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 50.38 6.04 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.677 2.391 . . . . 0.0 116.588 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -65.35 -36.65 84.68 Favored 'General case' 0 C--O 1.206 -1.203 0 O-C-N 120.114 -1.616 . . . . 0.0 111.331 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -18.79 56.68 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.188 1.795 . . . . 0.0 115.314 167.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.74 12.92 5.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.907 -1.746 . . . . 0.0 114.522 -166.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.26 -58.18 2.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.119 1.368 . . . . 0.0 107.724 155.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.35 78.68 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.052 1.741 . . . . 0.0 113.969 -172.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.63 88.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.509 1.924 . . . . 0.0 109.895 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' A' ' 21' ' ' PHE . 10.0 mm -67.87 -42.54 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 126.211 1.805 . . . . 0.0 109.836 -178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.77 -27.73 67.83 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.989 1.315 . . . . 0.0 113.782 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 -62.1 1.76 Allowed 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.524 1.129 . . . . 0.0 110.678 158.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -42.34 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -166.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.95 71.42 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 119.672 -1.893 . . . . 0.0 114.234 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -31.65 62.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 119.804 -1.81 . . . . 0.0 113.071 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.74 -42.01 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 126.899 2.08 . . . . 0.0 109.639 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 71.7 mt -57.64 -45.16 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 112.57 171.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -58.38 -25.59 62.23 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.985 1.314 . . . . 0.0 113.383 173.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.74 -44.85 10.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 120.714 -1.241 . . . . 0.0 114.041 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.34 -26.62 32.8 Favored Glycine 1 C--O 1.142 -5.647 0 CA-C-O 116.046 -2.53 . . . . 0.0 117.842 -166.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.25 62.08 4.41 Favored Glycine 0 C--O 1.203 -1.841 0 CA-C-N 123.486 3.643 . . . . 0.0 112.648 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.5 m-85 -76.61 -46.81 24.52 Favored 'General case' 0 C--O 1.176 -2.768 0 C-N-CA 128.091 2.556 . . . . 0.0 113.404 -169.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 119.041 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.919 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.03 3.06 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 127.517 2.327 . . . . 0.0 117.167 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.75 -32.45 69.25 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 126.887 2.075 . . . . 0.0 111.765 172.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 -10.7 56.96 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 128.026 2.531 . . . . 0.0 114.411 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.56 -55.34 28.23 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.37 -164.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.21 -43.19 42.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.68 72.93 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 125.468 1.507 . . . . 0.0 114.919 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' B' ' 34' ' ' ILE . . . -78.54 -40.43 35.0 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 119.872 1.215 . . . . 0.0 111.969 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.68 -50.95 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 121.528 -0.732 . . . . 0.0 111.599 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -74.52 -18.0 60.67 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -76.97 0.06 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 118.121 0.418 . . . . 0.0 111.591 148.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -38.75 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 120.17 -1.581 . . . . 0.0 112.727 -157.086 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.39 64.34 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 121.498 1.954 . . . . 0.0 112.277 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.15 65.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.622 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.12 -40.66 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 125.064 1.346 . . . . 0.0 108.952 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 37.5 mt -54.51 -48.66 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 126.879 2.072 . . . . 0.0 112.912 168.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.8 -30.11 63.38 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 125.027 1.331 . . . . 0.0 112.956 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.63 -41.65 17.57 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 125.664 1.586 . . . . 0.0 114.678 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.09 49.14 Favored Glycine 0 C--O 1.205 -1.707 0 C-N-CA 125.944 1.735 . . . . 0.0 113.956 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.97 26.5 12.5 Favored Glycine 0 C--O 1.214 -1.137 0 C-N-CA 126.049 1.785 . . . . 0.0 114.483 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CB ' HG21 ' D' ' 75' ' ' ILE . 27.1 m-85 -66.15 175.05 2.25 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 126.658 1.983 . . . . 0.0 113.872 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.113 0 O-C-N 117.892 -3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 1.6 1.23 Allowed 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -48.91 -36.14 16.54 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 119.941 1.246 . . . . 0.0 112.172 159.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.08 -1.3 57.78 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 127.002 2.121 . . . . 0.0 115.254 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.78 53.63 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.88 73.38 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 119.564 1.075 . . . . 0.0 111.806 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.44 82.13 Favored 'General case' 0 C--O 1.191 -1.998 0 C-N-CA 125.062 1.345 . . . . 0.0 112.711 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.44 30.61 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.514 1.961 . . . . 0.0 111.765 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.532 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.4 mm -75.96 -37.35 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 C-N-CA 123.937 0.895 . . . . 0.0 110.454 -167.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.26 -21.17 61.42 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 112.725 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.12 -65.04 0.73 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 158.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . 0.452 HD11 ' HB1' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -68.13 -40.05 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.63 -161.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -31.59 72.88 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 120.098 1.317 . . . . 0.0 112.94 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.87 -37.04 49.1 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.969 1.308 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.81 -40.28 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.4 1.88 . . . . 0.0 109.019 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 31.0 mt -59.74 -52.16 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 118.706 -2.496 . . . . 0.0 112.142 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -54.57 -29.02 50.01 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.52 1.528 . . . . 0.0 112.492 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.29 -38.96 17.0 Favored 'General case' 0 C--O 1.196 -1.728 0 N-CA-C 114.374 1.249 . . . . 0.0 114.374 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.88 -20.25 68.49 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 126.792 2.139 . . . . 0.0 118.395 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.86 24.79 66.09 Favored Glycine 0 C--O 1.204 -1.764 0 CA-C-N 118.598 1.199 . . . . 0.0 114.229 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 95.2 m-85 -58.79 -30.21 67.41 Favored 'General case' 0 C--O 1.207 -1.173 0 C-N-CA 126.324 1.85 . . . . 0.0 115.46 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.133 0 O-C-N 120.375 -1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . 0.266 . . 50.78 10.58 0.07 Allowed 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.41 -32.15 73.63 Favored 'General case' 0 C--O 1.189 -2.083 0 C-N-CA 126.023 1.729 . . . . 0.0 111.595 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -16.07 61.44 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 129.382 3.073 . . . . 0.0 113.515 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -58.9 6.18 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.569 0.622 . . . . 0.0 112.083 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.05 0.59 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.662 1.585 . . . . 0.0 114.776 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.33 -58.74 2.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 120.937 1.699 . . . . 0.0 111.319 149.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.77 -62.36 1.75 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.905 2.082 . . . . 0.0 115.21 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -22.24 16.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 O-C-N 120.038 -1.664 . . . . 0.0 111.498 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.73 56.59 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 125.84 1.656 . . . . 0.0 109.873 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.79 52.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 123.992 0.807 . . . . 0.0 110.121 163.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -38.65 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 O-C-N 121.17 -0.956 . . . . 0.0 113.018 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.07 75.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 120.378 -1.451 . . . . 0.0 114.437 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.9 74.06 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 125.719 1.608 . . . . 0.0 111.415 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.11 -46.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.837 2.855 . . . . 0.0 110.015 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 72.5 mt -53.24 -46.9 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 127.256 2.222 . . . . 0.0 115.697 169.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -56.23 -26.98 53.27 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 124.704 1.252 . . . . 0.0 112.725 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.01 -39.36 12.26 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 126.516 1.926 . . . . 0.0 114.781 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.16 -15.55 71.79 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 127.325 2.393 . . . . 0.0 118.36 -171.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.2 44.86 93.25 Favored Glycine 0 C--O 1.187 -2.801 0 CA-C-N 121.729 2.765 . . . . 0.0 114.191 167.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.532 ' CB ' HG21 ' B' ' 31' ' ' ILE . 58.6 m-85 -73.2 -50.12 24.25 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 127.465 2.306 . . . . 0.0 113.624 -169.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 53.24 8.81 0.12 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 126.742 2.017 . . . . 0.0 116.201 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.9 -30.1 69.98 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.738 -1.851 . . . . 0.0 112.96 165.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.22 -7.22 22.2 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 127.804 2.442 . . . . 0.0 115.183 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.13 16.13 4.56 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 118.026 -2.921 . . . . 0.0 117.21 -166.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.02 -52.3 3.2 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.138 0.273 . . . . 0.0 110.887 147.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.28 72.45 Favored 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 125.935 1.694 . . . . 0.0 114.103 -173.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.65 77.9 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 125.507 1.523 . . . . 0.0 110.741 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 75' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.3 mm -64.83 -46.53 91.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 125.633 1.573 . . . . 0.0 110.846 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.06 -26.42 67.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 117.957 -1.02 . . . . 0.0 113.23 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.38 -64.43 0.86 Allowed 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 123.696 0.798 . . . . 0.0 111.973 159.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.295 0.2 OUTLIER -58.45 -49.98 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -170.114 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.29 17.82 0.6 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.06 1.344 . . . . 0.0 114.082 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.33 -37.59 3.73 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.224 1.81 . . . . 0.0 111.866 159.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.81 -31.21 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.236 -2.165 . . . . 0.0 110.543 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . 1.2 mm -51.98 -56.18 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 128.973 2.909 . . . . 0.0 112.833 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.89 -34.23 76.25 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 127.659 2.384 . . . . 0.0 113.562 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.66 64.29 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 128.318 2.647 . . . . 0.0 113.084 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.91 -30.77 60.93 Favored Glycine 0 C--O 1.169 -3.927 0 C-N-CA 125.764 1.65 . . . . 0.0 114.098 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.87 6.25 58.18 Favored Glycine 0 N--CA 1.418 -2.53 0 C-N-CA 126.885 2.184 . . . . 0.0 113.902 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' D' ' 82' ' ' ILE . 1.6 m-85 -60.26 -61.51 2.55 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 118.152 0.976 . . . . 0.0 111.816 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.546 0 O-C-N 120.355 -1.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.576 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.75 -0.74 2.32 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -51.56 -34.16 35.59 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 125.918 1.687 . . . . 0.0 112.182 160.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.02 -3.91 58.37 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 127.249 2.219 . . . . 0.0 114.615 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.08 -52.39 65.12 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 120.03 1.286 . . . . 0.0 111.886 -162.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.53 61.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 120.023 1.283 . . . . 0.0 113.383 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.37 83.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.6 -44.48 28.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.314 1.046 . . . . 0.0 110.909 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' D' ' 87' ' ' PHE . 24.7 mm -68.9 -46.74 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.678 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.93 -23.91 60.75 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.181 0.593 . . . . 0.0 112.35 -170.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.17 -69.03 0.24 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 122.538 1.161 . . . . 0.0 114.098 156.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.283 4.3 tt -59.41 -53.66 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 O-C-N 120.855 -1.153 . . . . 0.0 113.263 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.47 9.63 1.01 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 122.078 2.217 . . . . 0.0 115.339 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.32 -40.69 5.75 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.975 2.11 . . . . 0.0 111.002 162.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.66 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 127.498 2.319 . . . . 0.0 111.399 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -40.51 -60.6 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 C-N-CA 129.471 3.108 . . . . 0.0 111.26 170.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -66.92 -39.34 87.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.253 2.621 . . . . 0.0 113.923 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.77 -32.84 70.09 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 126.813 2.045 . . . . 0.0 112.087 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.93 -61.15 3.37 Favored Glycine 0 C--O 1.198 -2.153 0 O-C-N 120.671 -1.268 . . . . 0.0 112.804 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.04 3.03 10.94 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 125.334 1.445 . . . . 0.0 115.381 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.32 0.0 OUTLIER -93.18 -7.31 45.65 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -174.528 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 121.032 -1.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.46 4.44 0.54 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -51.66 -30.49 21.89 Favored 'General case' 0 C--O 1.211 -0.956 0 C-N-CA 125.195 1.398 . . . . 0.0 113.718 159.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.33 0.81 56.53 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 127.698 2.399 . . . . 0.0 116.536 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.26 4.02 32.82 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -168.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.88 -54.05 5.15 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 121.709 2.049 . . . . 0.0 108.998 150.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.88 79.53 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.304 1.841 . . . . 0.0 114.052 -170.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.95 80.84 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 122.087 0.946 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' C' ' 65' ' ' PHE . 22.1 mm -82.09 -40.24 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.571 1.549 . . . . 0.0 110.766 -174.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -78.93 -18.69 53.38 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -76.55 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.119 0.961 . . . . 0.0 111.272 145.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.66 -39.57 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 120.76 -1.213 . . . . 0.0 113.613 -153.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.34 64.6 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 120.547 1.522 . . . . 0.0 114.469 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.98 27.91 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.168 1.787 . . . . 0.0 112.338 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.19 -39.33 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 126.236 1.814 . . . . 0.0 109.154 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 24.9 mt -56.86 -45.97 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 120.125 -1.609 . . . . 0.0 115.154 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.668 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -49.06 10.29 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 119.529 1.059 . . . . 0.0 112.841 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.08 98.6 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 116.94 1.536 . . . . 0.0 116.94 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.08 41.85 25.98 Favored Glycine 0 C--O 1.207 -1.555 0 C-N-CA 126.432 1.968 . . . . 0.0 114.428 -172.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 84.5 m-85 -57.05 -33.95 67.75 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 126.117 1.767 . . . . 0.0 115.157 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.708 0 O-C-N 120.335 -1.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ACE . . . . . 0.426 ' H3 ' ' HB3' ' C' ' 48' ' ' ALA . . . . . . . . 0 C--O 1.206 -1.216 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.81 -42.69 8.07 Favored 'General case' 0 C--O 1.185 -2.328 0 C-N-CA 126.831 2.052 . . . . 0.0 113.227 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -109.01 -13.92 14.64 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.874 2.47 . . . . 0.0 113.923 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ALA . . . . . 0.426 ' HB3' ' H3 ' ' C' ' 45' ' ' ACE . . . -81.28 -9.07 59.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 174.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.88 -60.59 3.16 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.958 1.303 . . . . 0.0 114.008 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -33.47 69.79 Favored 'General case' 0 C--O 1.205 -1.279 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.46 -28.4 63.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 124.889 1.276 . . . . 0.0 112.332 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' D' ' 78' ' ' ILE . . . -74.81 -82.21 0.07 Allowed 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 119.87 1.213 . . . . 0.0 112.039 161.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -24.5 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -155.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -36.84 12.73 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.101 -169.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.46 -48.08 72.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.976 0.91 . . . . 0.0 109.206 159.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.02 -35.87 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 O-C-N 120.332 -1.48 . . . . 0.0 114.193 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.04 70.33 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 120.039 1.291 . . . . 0.0 113.823 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.21 -35.09 48.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.87 1.668 . . . . 0.0 113.593 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.93 -36.26 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.3 1.84 . . . . 0.0 111.057 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' C' ' 65' ' ' PHE . 43.5 mt -60.05 -45.55 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 126.68 1.992 . . . . 0.0 113.804 168.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -55.92 -26.04 45.85 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 125.72 1.608 . . . . 0.0 113.156 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.37 8.93 Favored 'General case' 0 C--O 1.191 -2.016 0 C-N-CA 125.849 1.659 . . . . 0.0 113.76 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.05 -21.97 77.41 Favored Glycine 0 N--CA 1.434 -1.434 0 C-N-CA 126.42 1.962 . . . . 0.0 115.609 -171.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.71 26.97 61.73 Favored Glycine 0 C--O 1.203 -1.792 0 CA-C-N 121.957 2.878 . . . . 0.0 114.374 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' B' ' 31' ' ' ILE . 70.5 m-85 -57.01 -67.38 0.32 Allowed 'General case' 0 C--O 1.197 -1.71 0 C-N-CA 128.16 2.584 . . . . 0.0 112.617 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.019 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.347 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.03 71.76 0.91 Allowed 'General case' 0 N--CA 1.419 -2.005 0 C-N-CA 130.276 3.43 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -58.86 -27.77 65.49 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 120.37 -1.457 . . . . 0.0 114.212 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.96 -1.98 8.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.406 2.283 . . . . 0.0 114.929 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.92 18.93 0.92 Allowed 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.67 -45.08 3.4 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.207 0.603 . . . . 0.0 111.824 150.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.43 85.77 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.814 1.645 . . . . 0.0 115.354 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -34.29 75.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.525 0.679 . . . . 0.0 110.434 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mm -71.12 -44.36 74.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 124.707 1.203 . . . . 0.0 111.837 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -63.45 -33.76 76.26 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.7 1.54 26.1 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 127.37 2.268 . . . . 0.0 115.661 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 78' ' ' ILE . . . . . 0.401 HG13 ' HB1' ' C' ' 52' ' ' ALA 0.252 16.4 tt -118.77 -51.32 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 121.101 1.773 . . . . 0.0 113.293 167.158 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.34 72.49 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.08 58.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.74 1.216 . . . . 0.0 113.523 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.18 -41.25 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 125.679 1.591 . . . . 0.0 107.669 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 82' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 25.8 mt -54.68 -47.47 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.082 2.153 . . . . 0.0 113.349 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.85 -30.49 61.55 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 111.808 173.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.92 -34.93 15.87 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.79 -27.89 52.48 Favored Glycine 0 C--O 1.211 -1.308 0 O-C-N 120.527 -1.358 . . . . 0.0 114.322 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.81 36.68 66.13 Favored Glycine 0 C--O 1.207 -1.591 0 CA-C-N 120.363 2.082 . . . . 0.0 112.681 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 87' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 96.6 m-85 -55.08 -67.84 0.24 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.262 2.225 . . . . 0.0 114.683 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 O-C-N 120.227 -1.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.493 -1.225 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -49.29 -37.13 22.87 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 119.779 1.172 . . . . 0.0 113.521 159.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.05 -2.89 36.36 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.449 2.7 . . . . 0.0 116.397 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.24 70.26 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -163.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -48.77 63.59 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 120.46 1.482 . . . . 0.0 112.559 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.63 76.52 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 127.082 2.153 . . . . 0.0 113.894 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -77.88 -49.19 14.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.037 1.399 . . . . 0.0 112.676 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' HG22 ' A' ' 12' ' ' ILE . 4.6 mm -75.54 -34.11 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 111.084 -166.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -71.04 -21.42 62.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.816 0.847 . . . . 0.0 112.576 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 -61.82 1.64 Allowed 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 161.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 9' ' ' ILE 0.252 15.9 tt -63.67 -43.79 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 O-C-N 119.918 -1.739 . . . . 0.0 112.894 -167.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.24 68.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.356 1.889 . . . . 0.0 114.012 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.69 -37.73 49.02 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -68.98 -36.93 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.242 1.417 . . . . 0.0 111.19 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 mt -53.65 -48.98 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 128.736 2.814 . . . . 0.0 114.408 168.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -60.89 -28.76 69.13 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.7 1.2 . . . . 0.0 111.583 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.62 -46.42 13.31 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-N 119.663 1.12 . . . . 0.0 112.68 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.39 78.6 Favored Glycine 0 C--O 1.198 -2.096 0 C-N-CA 125.558 1.551 . . . . 0.0 115.097 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.87 6.08 Favored Glycine 0 C--O 1.2 -2.01 0 CA-C-O 122.393 0.996 . . . . 0.0 114.178 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.484 ' HB3' HG21 ' D' ' 75' ' ' ILE . 72.8 m-85 . . . . . 0 C--O 1.2 -1.533 0 C-N-CA 127.385 2.274 . . . . 0.0 115.487 -175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.791 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -47.78 -35.53 10.16 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 119.841 -1.787 . . . . 0.0 114.125 163.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.97 -1.24 38.66 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 128.295 2.638 . . . . 0.0 115.02 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.82 6.08 33.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -165.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.22 -55.34 3.57 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.868 1.213 . . . . 0.0 111.134 152.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.08 72.46 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 126.54 1.936 . . . . 0.0 113.954 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 12' ' ' ILE . . . -72.78 -34.45 66.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.071 -1.643 . . . . 0.0 113.049 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mm -80.94 -37.47 16.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 109.2 -171.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -56.03 -38.81 71.06 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.558 1.143 . . . . 0.0 110.255 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.35 3.36 11.17 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 8' ' ' ALA . 18.8 tt -122.19 -45.08 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 126.101 1.76 . . . . 0.0 112.642 163.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.54 68.3 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 122.23 2.286 . . . . 0.0 114.322 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.94 -21.65 54.49 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 124.44 1.096 . . . . 0.0 113.514 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.32 -37.46 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 125.29 1.436 . . . . 0.0 110.531 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 37.6 mt -49.03 -47.42 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 127.254 2.222 . . . . 0.0 111.941 164.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -52.0 -38.29 56.24 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.796 1.639 . . . . 0.0 113.664 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.62 -47.11 15.99 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 124.643 1.177 . . . . 0.0 112.901 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -49.23 49.34 Favored Glycine 0 C--O 1.204 -1.774 0 C-N-CA 126.133 1.825 . . . . 0.0 114.954 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.06 43.96 6.9 Favored Glycine 0 C--O 1.216 -1.018 0 CA-C-N 119.082 1.441 . . . . 0.0 112.948 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 24.3 m-85 . . . . . 0 C--O 1.2 -1.547 0 C-N-CA 127.415 2.286 . . . . 0.0 112.859 -168.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.13 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -51.73 -30.97 24.53 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 126.625 1.97 . . . . 0.0 113.663 165.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 -10.15 58.67 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.669 1.988 . . . . 0.0 115.629 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.62 58.85 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.86 -55.83 30.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.119 0.968 . . . . 0.0 110.7 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.76 -19.76 65.98 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.85 4.25 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 123.11 1.433 . . . . 0.0 109.87 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 mt -84.89 -18.19 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.675 -1.891 . . . . 0.0 112.607 -164.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -70.45 -19.1 62.99 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 119.28 0.946 . . . . 0.0 113.178 171.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.3 2.4 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.869 1.268 . . . . 0.0 111.197 153.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -65.69 -36.81 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 120.523 -1.361 . . . . 0.0 114.547 -162.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -30.59 71.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 119.633 1.106 . . . . 0.0 113.647 173.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.5 41.55 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.449 2.299 . . . . 0.0 111.927 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.94 -35.68 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 128.733 2.813 . . . . 0.0 109.154 171.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.449 HG12 ' CD1' ' C' ' 65' ' ' PHE . 52.7 mt -60.99 -45.06 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 O-C-N 119.521 -1.987 . . . . 0.0 114.184 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.06 -23.43 67.44 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.495 -1.24 . . . . 0.0 113.912 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.19 -41.4 18.48 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 126.683 1.993 . . . . 0.0 113.306 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -68.81 -61.34 4.72 Favored Glycine 0 C--O 1.192 -2.476 0 C-N-CA 124.834 1.207 . . . . 0.0 114.697 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.02 37.04 6.91 Favored Glycine 0 C--O 1.208 -1.494 0 C-N-CA 126.859 2.171 . . . . 0.0 114.333 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.449 ' CD1' HG12 ' C' ' 60' ' ' ILE . 72.3 m-85 . . . . . 0 C--O 1.196 -1.731 0 C-N-CA 128.382 2.673 . . . . 0.0 115.336 -170.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -45.25 -35.02 3.12 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 125.8 1.64 . . . . 0.0 114.168 159.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.41 57.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.593 2.357 . . . . 0.0 114.006 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.82 74.28 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.228 -1.545 . . . . 0.0 114.368 -167.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -21.98 66.37 Favored 'General case' 0 C--O 1.174 -2.89 0 O-C-N 120.946 -1.097 . . . . 0.0 113.068 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.43 -32.55 32.61 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 127.139 2.176 . . . . 0.0 113.237 172.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.23 -54.85 4.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 120.701 1.591 . . . . 0.0 110.856 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' PHE . 8.6 mm -69.89 -42.99 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.008 -165.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -75.04 -23.79 58.17 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.401 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.03 -59.8 2.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 124.172 0.92 . . . . 0.0 110.937 158.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -38.21 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 O-C-N 120.512 -1.368 . . . . 0.0 113.557 -164.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.82 64.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.756 1.616 . . . . 0.0 114.145 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.82 -36.89 41.88 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.66 -41.66 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.246 1.418 . . . . 0.0 110.109 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.436 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 70.2 mt -54.08 -48.47 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 O-C-N 119.42 -2.05 . . . . 0.0 115.187 167.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.65 -33.24 54.53 Favored 'General case' 0 C--O 1.206 -1.184 0 C-N-CA 125.168 1.387 . . . . 0.0 112.45 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.02 -37.34 19.04 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.935 1.694 . . . . 0.0 113.943 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.37 -66.85 1.82 Allowed Glycine 0 C--O 1.209 -1.44 0 C-N-CA 125.028 1.299 . . . . 0.0 114.246 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.77 53.45 1.8 Allowed Glycine 0 C--O 1.186 -2.905 0 C-N-CA 125.002 1.287 . . . . 0.0 112.762 -168.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' D' ' 82' ' ' ILE . 13.7 m-85 . . . . . 0 C--O 1.182 -2.476 0 C-N-CA 127.822 2.449 . . . . 0.0 114.588 -164.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.851 0 CA-C-O 117.76 -1.114 . . . . 0.0 113.258 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -53.13 -30.63 37.93 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 121.359 1.89 . . . . 0.0 113.229 157.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.24 3.43 43.14 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 127.344 2.257 . . . . 0.0 116.269 174.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.34 -55.17 26.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -160.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.38 69.16 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.26 74.59 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.105 -0.997 . . . . 0.0 113.078 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.69 -83.17 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 118.928 0.785 . . . . 0.0 112.466 164.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -23.16 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 120.569 -1.332 . . . . 0.0 112.058 -154.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -97.27 -29.61 13.45 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 118.097 0.408 . . . . 0.0 111.017 -168.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.82 -53.5 57.1 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 157.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.251 1.6 mp -60.17 -36.29 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.37 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.51 76.0 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.4 63.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 112.96 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.48 -41.49 83.22 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 C-N-CA 125.152 1.381 . . . . 0.0 109.108 173.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 65.9 mt -56.17 -49.03 78.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 128.86 2.864 . . . . 0.0 114.829 169.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -53.56 -33.31 54.28 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.278 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.44 24.86 Favored 'General case' 0 C--O 1.185 -2.323 0 O-C-N 119.735 -1.853 . . . . 0.0 114.468 169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.8 -15.19 55.24 Favored Glycine 0 C--O 1.199 -2.061 0 N-CA-C 118.251 2.06 . . . . 0.0 118.251 -166.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.47 44.22 90.68 Favored Glycine 1 C--O 1.162 -4.347 0 CA-C-N 120.056 1.928 . . . . 0.0 113.979 169.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.524 ' CB ' HG21 ' D' ' 75' ' ' ILE . 66.8 m-85 . . . . . 0 C--N 1.291 -1.954 0 C-N-CA 127.584 2.354 . . . . 0.0 116.502 -173.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.839 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.0 -27.55 68.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 O-C-N 119.738 -1.851 . . . . 0.0 110.66 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.35 -6.83 48.65 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 128.212 2.605 . . . . 0.0 114.672 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.84 21.07 2.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 -166.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.16 -47.79 3.36 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.208 1.003 . . . . 0.0 111.594 148.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.97 78.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.389 2.275 . . . . 0.0 113.25 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.75 78.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.295 1.045 . . . . 0.0 110.703 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.78 -43.11 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 C-N-CA 123.72 0.808 . . . . 0.0 109.902 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.97 -21.71 60.81 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.565 1.146 . . . . 0.0 112.846 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.79 -66.83 0.5 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.166 0.986 . . . . 0.0 112.382 157.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.73 -48.44 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.004 -167.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.97 11.72 1.03 Allowed 'General case' 0 C--O 1.191 -2.004 0 CA-C-N 120.554 1.525 . . . . 0.0 114.845 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.26 -41.56 5.51 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.951 2.1 . . . . 0.0 113.822 157.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.61 -39.61 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 127.374 2.269 . . . . 0.0 112.014 173.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 43' ' ' PHE . 4.0 mm -44.4 -60.93 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 C-N-CA 131.09 3.756 . . . . 0.0 111.374 167.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.08 -37.67 84.38 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 128.931 2.892 . . . . 0.0 111.521 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.91 -37.91 61.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.559 2.344 . . . . 0.0 112.803 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -58.74 11.49 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 124.563 1.078 . . . . 0.0 112.712 168.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.9 17.11 9.9 Favored Glycine 0 C--O 1.196 -2.263 0 C-N-CA 126.429 1.966 . . . . 0.0 114.344 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' B' ' 38' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--N 1.306 -1.322 0 C-N-CA 126.561 1.945 . . . . 0.0 114.005 -179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.927 0 N-CA-C 114.491 1.293 . . . . 0.0 114.491 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -56.57 -35.33 68.06 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 119.927 -1.733 . . . . 0.0 113.896 157.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.23 19.04 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 128.464 2.705 . . . . 0.0 115.478 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.97 51.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 120.722 -1.236 . . . . 0.0 114.185 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -12.19 22.26 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 120.616 1.553 . . . . 0.0 113.992 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.95 -45.68 10.03 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.3 -2.125 . . . . 0.0 115.487 162.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.17 66.44 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.109 -1.619 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.36 -42.24 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.007 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.68 -36.13 80.12 Favored 'General case' 0 C--O 1.194 -1.837 0 C-N-CA 124.685 1.194 . . . . 0.0 113.443 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.96 -7.46 53.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.253 0.3 OUTLIER -108.6 -60.58 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.89 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -8.76 57.18 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 122.799 2.545 . . . . 0.0 115.502 -164.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.66 -28.74 19.27 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 123.804 0.842 . . . . 0.0 113.233 164.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.61 -40.55 28.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 128.761 2.824 . . . . 0.0 110.989 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.546 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 29.2 mm -33.44 -57.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 128.74 2.816 . . . . 0.0 112.241 164.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -71.79 -40.3 69.32 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 127.992 2.517 . . . . 0.0 112.587 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.44 78.7 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 125.646 1.579 . . . . 0.0 112.078 172.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.49 -54.01 8.07 Favored Glycine 0 C--O 1.215 -1.068 0 O-C-N 124.167 0.917 . . . . 0.0 112.655 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.29 30.35 5.99 Favored Glycine 0 C--O 1.189 -2.667 0 C-N-CA 127.459 2.457 . . . . 0.0 112.845 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' C' ' 60' ' ' ILE 0.299 0.1 OUTLIER . . . . . 0 C--N 1.308 -1.206 0 CA-C-N 120.649 2.224 . . . . 0.0 115.591 -173.257 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.909 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -55.05 -26.29 36.51 Favored 'General case' 0 C--O 1.212 -0.918 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 166.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.54 52.82 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 128.371 2.669 . . . . 0.0 114.788 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.9 81.67 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -163.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.34 71.19 Favored 'General case' 1 C--O 1.117 -5.903 0 O-C-N 119.922 -1.736 . . . . 0.0 112.782 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.5 -38.42 71.17 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 117.843 -3.036 . . . . 0.0 113.656 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.88 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.48 1.512 . . . . 0.0 110.046 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 21' ' ' PHE . 10.6 mm -72.28 -37.66 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.244 1.818 . . . . 0.0 110.644 -173.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -73.8 -21.35 60.18 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.81 0.78 Allowed 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 119.205 0.911 . . . . 0.0 110.496 155.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -42.19 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 120.471 -1.393 . . . . 0.0 112.959 -165.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.87 73.21 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.82 -29.92 29.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.968 1.366 . . . . 0.0 111.965 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.94 -39.07 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 119.474 -2.016 . . . . 0.0 108.649 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 23.6 mt -51.8 -52.68 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 125.561 1.544 . . . . 0.0 112.454 165.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.63 -26.98 57.42 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -49.31 9.71 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.999 1.72 . . . . 0.0 112.712 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.76 92.71 Favored Glycine 0 C--O 1.203 -1.783 0 C-N-CA 126.23 1.872 . . . . 0.0 114.83 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.47 40.03 10.35 Favored Glycine 0 C--O 1.19 -2.655 0 C-N-CA 126.434 1.968 . . . . 0.0 112.138 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 75.4 m-85 . . . . . 0 C--O 1.203 -1.344 0 C-N-CA 126.9 2.08 . . . . 0.0 114.468 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.69 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -63.52 -28.78 70.18 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.866 1.666 . . . . 0.0 111.884 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -11.67 61.05 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.125 2.97 . . . . 0.0 114.916 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 12.44 10.68 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -166.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.07 -54.35 3.76 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 119.512 -1.992 . . . . 0.0 110.622 146.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.8 67.79 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.758 1.623 . . . . 0.0 114.298 -173.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.24 61.02 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.24 1.019 . . . . 0.0 110.364 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' D' ' 87' ' ' PHE . 14.4 mm -66.51 -43.54 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.542 1.537 . . . . 0.0 111.709 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -67.49 -27.41 66.98 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 124.823 1.249 . . . . 0.0 114.282 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.4 -64.71 0.81 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 118.453 0.57 . . . . 0.0 111.176 157.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -43.18 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-O 116.224 -1.846 . . . . 0.0 112.745 -163.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.94 73.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 122.706 2.503 . . . . 0.0 113.952 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.63 58.39 Favored 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 124.263 1.025 . . . . 0.0 113.22 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -66.75 -44.1 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 126.194 1.798 . . . . 0.0 111.329 170.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 21' ' ' PHE . 46.2 mt -55.55 -41.31 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.618 2.367 . . . . 0.0 113.715 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -60.82 -27.84 68.35 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 124.914 1.286 . . . . 0.0 112.928 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.71 -41.78 14.83 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 124.17 0.988 . . . . 0.0 111.956 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.46 -48.5 36.58 Favored Glycine 0 N--CA 1.436 -1.352 0 O-C-N 120.549 -1.345 . . . . 0.0 116.452 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 28.91 47.83 Favored Glycine 0 C--O 1.197 -2.171 0 C-N-CA 126.834 2.159 . . . . 0.0 117.387 -171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CD1' HG12 ' A' ' 16' ' ' ILE . 74.2 m-85 . . . . . 0 C--O 1.182 -2.485 0 C-N-CA 128.54 2.736 . . . . 0.0 114.835 -174.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.203 -1.368 0 N-CA-C 114.024 1.12 . . . . 0.0 114.024 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -126.34 -9.56 6.36 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 126.975 2.11 . . . . 0.0 113.855 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 -1.55 16.4 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.343 1.457 . . . . 0.0 114.211 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.424 ' O ' HG12 ' B' ' 31' ' ' ILE . . . -57.08 -55.49 34.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.903 -1.123 . . . . 0.0 112.412 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.29 63.6 Favored 'General case' 0 C--O 1.164 -3.402 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.43 78.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 -47.88 16.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.698 1.599 . . . . 0.0 112.588 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 65' ' ' PHE . 13.6 mm -59.99 -50.04 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 O-C-N 121.743 -0.598 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.94 -29.16 68.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 124.729 1.212 . . . . 0.0 113.262 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.81 -2.04 57.84 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 113.654 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -56.92 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-O 115.136 -2.364 . . . . 0.0 111.675 172.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.68 91.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 123.617 2.917 . . . . 0.0 113.033 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.93 64.51 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.4 -41.94 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.341 1.856 . . . . 0.0 111.977 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -56.51 -43.96 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 125.8 1.64 . . . . 0.0 112.419 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -55.48 -26.58 43.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.205 1.402 . . . . 0.0 114.519 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -35.62 11.03 Favored 'General case' 1 C--O 1.145 -4.404 0 C-N-CA 125.235 1.414 . . . . 0.0 114.419 167.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.92 -13.81 58.68 Favored Glycine 0 C--N 1.294 -1.795 0 O-C-N 118.28 -2.763 . . . . 0.0 117.367 -166.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.9 52.9 47.14 Favored Glycine 0 C--O 1.178 -3.366 0 CA-C-N 121.219 2.509 . . . . 0.0 114.754 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 C--O 1.198 -1.638 0 C-N-CA 127.134 2.174 . . . . 0.0 112.911 -162.351 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.771 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -45.04 -38.35 4.82 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-N 120.669 1.577 . . . . 0.0 113.417 157.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.36 -5.1 51.23 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 128.562 2.745 . . . . 0.0 114.633 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -48.88 73.83 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.001 -1.687 . . . . 0.0 115.343 -167.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.89 70.79 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 120.943 1.701 . . . . 0.0 112.194 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.18 76.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.548 1.539 . . . . 0.0 114.773 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.6 17.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.348 1.547 . . . . 0.0 112.55 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.92 -33.78 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.361 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -67.14 -24.83 65.95 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 118.061 -0.971 . . . . 0.0 113.018 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.83 -64.49 0.88 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 118.386 0.539 . . . . 0.0 111.48 159.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -37.87 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -167.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.82 61.69 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.2 34.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.9 1.68 . . . . 0.0 112.58 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.45 -40.38 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 125.692 1.597 . . . . 0.0 108.758 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 32.9 mt -51.15 -50.38 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.124 1.77 . . . . 0.0 114.672 167.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -61.78 -25.95 67.78 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.72 -49.51 10.36 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.662 1.185 . . . . 0.0 113.125 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.31 -38.62 93.84 Favored Glycine 0 C--O 1.208 -1.469 0 O-C-N 120.653 -1.279 . . . . 0.0 115.565 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.67 42.16 9.28 Favored Glycine 0 C--O 1.188 -2.732 0 C-N-CA 124.901 1.238 . . . . 0.0 113.742 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.517 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 63.4 m-85 . . . . . 0 C--O 1.2 -1.527 0 C-N-CA 126.915 2.086 . . . . 0.0 112.154 -166.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.891 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.62 -28.25 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.14 -2.225 . . . . 0.0 114.196 162.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.53 -5.01 53.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 127.881 2.472 . . . . 0.0 115.597 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.92 61.32 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -159.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.57 87.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 120.338 1.426 . . . . 0.0 111.991 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.06 89.7 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.39 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.04 85.85 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.478 1.49 . . . . 0.0 112.672 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.95 -17.0 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.922 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.46 -19.62 62.95 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 118.451 0.569 . . . . 0.0 111.654 168.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.15 -68.55 0.38 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.091 0.956 . . . . 0.0 111.266 153.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -39.79 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 120.61 -1.306 . . . . 0.0 113.059 -160.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.59 67.41 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.92 -33.59 33.99 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 121.12 -0.987 . . . . 0.0 112.121 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.13 -43.18 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 126.016 1.726 . . . . 0.0 108.823 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 54.2 mt -49.69 -48.34 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 C-N-CA 126.631 1.972 . . . . 0.0 115.846 168.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.43 -30.45 68.49 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.545 1.138 . . . . 0.0 113.793 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.67 -50.78 10.12 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 124.654 1.182 . . . . 0.0 111.123 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.9 -35.74 80.07 Favored Glycine 0 C--O 1.21 -1.398 0 CA-C-N 120.32 1.418 . . . . 0.0 116.191 -173.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.58 23.03 29.65 Favored Glycine 0 C--O 1.202 -1.859 0 C-N-CA 125.379 1.466 . . . . 0.0 115.261 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.528 ' CB ' HG21 ' A' ' 9' ' ' ILE . 16.7 m-85 . . . . . 0 C--O 1.208 -1.127 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.425 -1.678 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.81 -18.18 60.99 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 125.335 1.454 . . . . 0.0 114.864 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.61 31.75 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 126.536 1.934 . . . . 0.0 113.447 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.44 70.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.78 77.46 Favored 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.41 69.21 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -82.85 -55.21 4.54 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.51 1.959 . . . . 0.0 112.863 170.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.513 HG21 ' CB ' ' D' ' 87' ' ' PHE . 10.2 mm -71.81 -40.54 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 123.991 0.916 . . . . 0.0 109.922 -164.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.9 -22.35 62.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.96 -69.74 0.3 Allowed 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 157.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -36.55 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 O-C-N 121.373 -0.83 . . . . 0.0 113.095 -161.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.27 63.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.464 1.484 . . . . 0.0 114.29 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -33.06 22.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.516 1.126 . . . . 0.0 111.832 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.32 -42.34 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 126.167 1.787 . . . . 0.0 109.144 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.505 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 16.7 mt -55.61 -47.18 79.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 CA-C-N 121.076 1.762 . . . . 0.0 113.396 169.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -58.94 -28.62 66.44 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.09 11.02 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 126.206 1.802 . . . . 0.0 112.669 171.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.4 90.25 Favored Glycine 0 C--O 1.205 -1.675 0 CA-C-N 120.338 1.426 . . . . 0.0 114.857 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 29.63 11.74 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 124.547 1.07 . . . . 0.0 114.466 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 32.7 m-85 . . . . . 0 C--O 1.171 -3.041 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 174.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.019 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -45.54 -32.8 2.42 Favored 'General case' 0 N--CA 1.438 -1.072 0 O-C-N 120.278 -1.514 . . . . 0.0 114.645 159.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.49 51.37 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.074 2.949 . . . . 0.0 114.705 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -60.87 3.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -166.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.41 54.22 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 118.983 0.81 . . . . 0.0 111.78 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.75 84.19 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.66 -46.02 33.81 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.86 -1.15 . . . . 0.0 112.605 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.27 -37.47 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.663 -172.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.24 -40.46 90.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 121.832 -0.543 . . . . 0.0 112.02 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -2.72 9.64 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.497 HG13 ' HB1' ' A' ' 8' ' ' ALA 0.284 20.8 tt -117.86 -50.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 120.466 -1.396 . . . . 0.0 112.295 165.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.96 69.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 121.977 2.171 . . . . 0.0 114.61 -169.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.4 -21.95 38.62 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-O 122.442 1.115 . . . . 0.0 113.718 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.29 -39.55 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 126.826 2.05 . . . . 0.0 108.87 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.402 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 28.1 mt -53.37 -48.67 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 126.23 1.812 . . . . 0.0 112.031 170.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -51.95 -28.77 17.76 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.373 1.869 . . . . 0.0 114.623 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.52 -48.36 7.99 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 124.292 1.037 . . . . 0.0 113.583 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.94 97.57 Favored Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 126.399 1.952 . . . . 0.0 114.891 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.98 52.98 16.42 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-N 121.251 2.526 . . . . 0.0 112.802 -174.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CB ' HG21 ' C' ' 53' ' ' ILE . 67.6 m-85 . . . . . 0 C--O 1.178 -2.692 0 C-N-CA 127.608 2.363 . . . . 0.0 113.283 -173.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.951 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -46.78 -35.78 6.58 Favored 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.502 157.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.75 -4.55 59.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.191 2.197 . . . . 0.0 114.313 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.95 59.49 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.68 -36.58 72.13 Favored 'General case' 1 C--O 1.149 -4.194 0 CA-C-N 120.683 1.583 . . . . 0.0 112.41 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.69 75.39 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 118.904 -2.373 . . . . 0.0 115.398 170.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.09 64.63 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.577 1.655 . . . . 0.0 112.099 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' B' ' 43' ' ' PHE . 6.7 mm -80.14 -36.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 113.032 -1.894 . . . . 0.0 110.316 -170.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -65.91 -23.71 66.69 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.79 -67.74 0.4 Allowed 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 119.545 1.066 . . . . 0.0 110.846 156.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' D' ' 74' ' ' ALA . 0.0 OUTLIER -64.66 -40.79 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-O 117.859 -1.067 . . . . 0.0 112.752 -163.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.76 65.65 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 121.867 2.122 . . . . 0.0 114.466 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.4 32.67 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.798 1.639 . . . . 0.0 111.728 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.56 -40.69 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 126.298 1.839 . . . . 0.0 109.016 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 41.1 mt -54.91 -51.18 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 127.004 2.122 . . . . 0.0 113.836 168.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.36 -26.87 54.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.402 1.481 . . . . 0.0 112.585 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.57 13.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.657 1.583 . . . . 0.0 113.807 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.01 -52.02 9.55 Favored Glycine 0 C--O 1.204 -1.738 0 O-C-N 120.474 -1.391 . . . . 0.0 115.374 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 38.99 6.2 Favored Glycine 0 C--O 1.177 -3.409 0 C-N-CA 124.285 0.945 . . . . 0.0 113.884 -173.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 71.8 m-85 . . . . . 0 C--O 1.186 -2.267 0 C-N-CA 128.952 2.901 . . . . 0.0 115.841 -174.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.035 0 N-CA-C 114.478 1.288 . . . . 0.0 114.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -47.51 -39.06 15.2 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 124.86 1.264 . . . . 0.0 113.608 160.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.96 -0.72 28.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 129.569 3.148 . . . . 0.0 115.472 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.32 7.1 20.47 Favored 'General case' 0 C--O 1.202 -1.443 0 O-C-N 118.401 -2.687 . . . . 0.0 114.886 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.51 -58.04 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 121.351 1.887 . . . . 0.0 109.956 149.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.71 70.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.988 1.315 . . . . 0.0 114.03 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' C' ' 56' ' ' ILE . . . -74.84 -42.27 58.29 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 120.409 -1.432 . . . . 0.0 112.218 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PHE . 14.9 mm -70.26 -42.49 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 124.761 1.224 . . . . 0.0 110.674 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.47 -23.59 61.07 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.742 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.56 -68.4 0.36 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 119.643 1.111 . . . . 0.0 109.922 156.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -39.27 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 O-C-N 120.021 -1.674 . . . . 0.0 112.842 -158.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.41 73.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 120.155 1.343 . . . . 0.0 113.599 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.839 2.055 . . . . 0.0 113.019 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.57 -43.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 125.655 1.582 . . . . 0.0 110.124 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 37.8 mt -55.69 -47.41 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.99 -29.01 4.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.441 1.496 . . . . 0.0 114.169 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -44.11 9.68 Favored 'General case' 0 C--O 1.201 -1.456 0 C-N-CA 126.675 1.99 . . . . 0.0 113.603 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -40.39 82.14 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 125.319 1.438 . . . . 0.0 114.988 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.25 24.41 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 119.852 1.826 . . . . 0.0 115.25 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.513 ' CB ' HG21 ' A' ' 9' ' ' ILE . 86.0 m-85 . . . . . 0 C--O 1.2 -1.522 0 C-N-CA 126.536 1.934 . . . . 0.0 115.177 -173.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.827 0 N-CA-C 115.126 1.528 . . . . 0.0 115.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.33 -25.84 66.1 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.568 -1.958 . . . . 0.0 112.953 168.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.99 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 114.259 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.74 34.05 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -154.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.96 66.9 Favored 'General case' 1 C--O 1.133 -5.058 0 O-C-N 121.172 -0.955 . . . . 0.0 112.861 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.58 -37.51 31.14 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 122.641 2.473 . . . . 0.0 113.299 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.9 -41.85 28.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.383 1.563 . . . . 0.0 111.388 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' D' ' 87' ' ' PHE . 8.0 mm -74.77 -40.44 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 110.987 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.16 -26.17 62.87 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.62 -61.41 2.1 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.694 0.797 . . . . 0.0 111.291 161.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.265 0.4 OUTLIER -61.68 -41.11 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 O-C-N 120.858 -1.151 . . . . 0.0 111.603 -171.116 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.23 75.2 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 113.567 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.41 -35.14 54.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.292 -2.13 . . . . 0.0 111.324 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.18 -38.77 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 C-N-CA 126.7 2.0 . . . . 0.0 108.929 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 68.0 mt -55.42 -50.94 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 113.402 166.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -57.76 -29.04 64.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.174 0.989 . . . . 0.0 111.66 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -47.04 14.4 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 120.082 -1.636 . . . . 0.0 113.404 169.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.08 -16.61 59.09 Favored Glycine 0 C--O 1.185 -2.928 0 CA-C-O 117.827 -1.541 . . . . 0.0 116.73 -162.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 62.27 5.0 Favored Glycine 0 C--O 1.199 -2.035 0 CA-C-N 122.077 2.939 . . . . 0.0 112.865 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CB ' HG21 ' D' ' 75' ' ' ILE . 11.2 m-85 . . . . . 0 N--CA 1.441 -0.906 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -168.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.821 0 N-CA-C 115.874 1.805 . . . . 0.0 115.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -67.38 -25.84 66.16 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.735 1.614 . . . . 0.0 111.676 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 -12.76 60.64 Favored 'General case' 0 C--O 1.208 -1.099 0 C-N-CA 126.533 1.933 . . . . 0.0 114.38 170.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.54 61.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.74 76.47 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 121.018 1.736 . . . . 0.0 112.333 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -24.77 67.91 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.15 8.03 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 120.545 1.52 . . . . 0.0 111.97 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.51 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.0 mm -75.8 -36.58 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 125.097 1.359 . . . . 0.0 110.757 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -67.06 -28.62 68.35 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.111 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 -56.59 8.2 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.76 163.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -39.03 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 120.113 1.324 . . . . 0.0 111.682 -168.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.61 69.19 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 120.146 1.339 . . . . 0.0 113.898 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.61 -37.72 62.76 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 119.508 1.049 . . . . 0.0 111.795 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.68 -46.88 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.736 2.014 . . . . 0.0 109.818 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.501 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 66.4 mt -52.36 -50.93 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 O-C-N 118.168 -2.833 . . . . 0.0 113.343 168.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.65 -26.15 61.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.641 1.176 . . . . 0.0 114.163 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.96 -42.16 12.65 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 125.593 1.557 . . . . 0.0 114.107 168.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.94 -9.9 58.0 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 127.381 2.42 . . . . 0.0 116.764 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.97 57.87 14.16 Favored Glycine 0 C--O 1.21 -1.374 0 CA-C-N 120.869 2.335 . . . . 0.0 113.527 167.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 10.3 m-85 . . . . . 0 C--O 1.209 -1.074 0 O-C-N 120.798 -1.413 . . . . 0.0 113.19 -166.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.078 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -58.6 -34.31 70.97 Favored 'General case' 0 C--O 1.194 -1.83 0 C-N-CA 125.699 1.6 . . . . 0.0 113.408 162.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.62 66.06 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 127.08 2.152 . . . . 0.0 113.688 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . . . -79.47 1.28 26.18 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -176.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.11 -59.18 1.78 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 124.081 0.952 . . . . 0.0 111.426 148.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.06 75.42 Favored 'General case' 0 C--O 1.208 -1.089 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -168.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.48 -41.23 40.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 109.884 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' B' ' 43' ' ' PHE . 8.8 mm -63.06 -44.96 99.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 123.043 0.537 . . . . 0.0 109.817 176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -68.32 -26.92 65.86 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.323 1.449 . . . . 0.0 113.897 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -57.38 4.58 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.12 1.368 . . . . 0.0 110.885 161.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.262 1.7 mp -65.97 -35.01 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 O-C-N 120.201 -1.562 . . . . 0.0 112.84 -168.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.34 -29.56 69.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 119.759 -1.838 . . . . 0.0 114.092 173.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.87 -33.9 45.42 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.244 1.818 . . . . 0.0 112.01 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.9 mt -66.82 -45.99 86.42 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 C-N-CA 127.021 2.128 . . . . 0.0 108.112 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 59.9 mt -51.21 -48.12 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 O-C-N 118.505 -2.622 . . . . 0.0 114.996 167.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -58.12 -32.96 68.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.022 1.329 . . . . 0.0 112.391 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.74 -41.24 19.49 Favored 'General case' 0 C--O 1.192 -1.942 0 C-N-CA 126.284 1.834 . . . . 0.0 113.289 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.99 -9.35 59.65 Favored Glycine 0 N--CA 1.44 -1.082 0 CA-C-O 117.252 -1.86 . . . . 0.0 116.816 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.07 50.4 60.73 Favored Glycine 0 C--O 1.2 -2.0 0 CA-C-N 120.93 2.365 . . . . 0.0 114.147 164.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' B' ' 31' ' ' ILE . 17.0 m-85 . . . . . 0 C--O 1.197 -1.697 0 C-N-CA 126.85 2.06 . . . . 0.0 113.619 -168.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.714 0 N-CA-C 115.917 1.821 . . . . 0.0 115.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.83 -25.96 67.45 Favored 'General case' 0 C--O 1.208 -1.086 0 C-N-CA 127.091 2.156 . . . . 0.0 112.221 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.8 -16.58 62.18 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 126.074 1.75 . . . . 0.0 113.602 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' C' ' 65' ' ' PHE . . . -76.04 -43.91 41.65 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.622 -1.18 . . . . 0.0 114.145 -156.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.91 -52.45 60.53 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.421 1.464 . . . . 0.0 112.239 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.96 70.3 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 119.814 -1.804 . . . . 0.0 114.984 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.51 -48.77 16.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.174 0.99 . . . . 0.0 112.234 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 21' ' ' PHE . 5.0 mm -80.22 -34.38 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.714 1.606 . . . . 0.0 110.879 -169.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -73.1 -23.01 60.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.27 -59.42 3.02 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 118.074 0.397 . . . . 0.0 110.6 159.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -38.49 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 117.693 -1.146 . . . . 0.0 111.713 -165.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -26.72 65.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 120.596 1.544 . . . . 0.0 114.281 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.73 -31.91 41.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.588 -1.32 . . . . 0.0 111.402 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.72 -42.18 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 125.055 1.342 . . . . 0.0 109.054 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.401 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 77.7 mt -54.36 -43.71 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 C-N-CA 126.128 1.771 . . . . 0.0 114.181 168.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.09 -44.2 20.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.707 1.603 . . . . 0.0 112.624 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.15 11.63 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 117.373 -1.793 . . . . 0.0 116.638 -166.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.21 61.22 4.66 Favored Glycine 0 C--O 1.192 -2.508 0 CA-C-N 119.732 1.766 . . . . 0.0 111.434 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.487 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 m-85 . . . . . 0 N--CA 1.442 -0.872 0 C-N-CA 126.725 2.01 . . . . 0.0 113.886 -170.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -57.01 -27.68 61.81 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 125.129 1.372 . . . . 0.0 113.28 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.06 -2.9 58.76 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.79 1.636 . . . . 0.0 115.179 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 9' ' ' ILE . . . -62.43 -44.75 95.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.645 -164.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -47.09 66.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 119.974 1.261 . . . . 0.0 112.41 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.43 -30.45 66.9 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 126.15 1.78 . . . . 0.0 114.828 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.11 -58.37 3.32 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 120.675 1.579 . . . . 0.0 109.193 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' D' ' 87' ' ' PHE . 16.6 mm -66.64 -39.79 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 123.54 0.736 . . . . 0.0 111.77 -164.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.87 -24.12 59.69 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.149 0.979 . . . . 0.0 111.823 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.45 -61.53 1.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.809 1.244 . . . . 0.0 110.687 161.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.73 -51.77 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.409 -166.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.48 17.56 0.27 Allowed 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 121.175 1.807 . . . . 0.0 114.734 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 -37.36 4.05 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 127.555 2.342 . . . . 0.0 111.827 160.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.32 -37.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 126.272 1.829 . . . . 0.0 111.187 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -46.12 -57.84 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 128.964 2.906 . . . . 0.0 110.975 168.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -69.5 -40.59 76.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 128.611 2.764 . . . . 0.0 112.468 -170.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.39 84.31 Favored 'General case' 0 C--O 1.203 -1.347 0 C-N-CA 126.987 2.115 . . . . 0.0 111.978 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.23 46.42 Favored Glycine 1 C--O 1.164 -4.221 0 C-N-CA 124.672 1.129 . . . . 0.0 114.161 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.62 11.37 64.1 Favored Glycine 0 C--O 1.185 -2.949 0 C-N-CA 126.275 1.893 . . . . 0.0 114.285 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.366 0.0 OUTLIER . . . . . 0 N--CA 1.428 -1.53 0 C-N-CA 126.58 1.952 . . . . 0.0 114.893 -169.334 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.432 -1.334 0 N-CA-C 114.805 1.409 . . . . 0.0 114.805 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -56.09 -10.19 0.78 Allowed 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.75 -19.92 0.07 Allowed 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 127.099 2.16 . . . . 0.0 115.153 154.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.38 -48.97 68.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 125.746 1.618 . . . . 0.0 112.521 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -7.17 9.38 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 120.279 -1.513 . . . . 0.0 114.922 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.6 -46.89 6.76 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.839 1.656 . . . . 0.0 112.469 162.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -47.07 54.69 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 119.202 -2.186 . . . . 0.0 110.647 -168.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.19 -44.71 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.831 1.252 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.65 -46.25 90.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.277 1.031 . . . . 0.0 111.58 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -6.85 14.4 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 115.664 1.728 . . . . 0.0 115.664 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.271 0.3 OUTLIER -117.01 -54.51 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.856 2.063 . . . . 0.0 113.008 173.317 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.23 67.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.785 2.084 . . . . 0.0 112.173 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.79 -30.29 45.43 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.961 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.91 -35.86 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 124.027 0.931 . . . . 0.0 109.465 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' B' ' 43' ' ' PHE . 60.9 mt -62.7 -41.47 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.448 1.899 . . . . 0.0 114.496 172.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -57.26 -31.13 65.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.94 1.296 . . . . 0.0 112.304 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.15 11.98 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.492 1.117 . . . . 0.0 113.427 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.86 -43.32 66.79 Favored Glycine 0 C--O 1.208 -1.469 0 C-N-CA 124.413 1.006 . . . . 0.0 114.203 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.8 42.39 Favored Glycine 0 C--O 1.196 -2.276 0 C-N-CA 125.015 1.293 . . . . 0.0 115.336 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.402 ' CD1' HG12 ' B' ' 38' ' ' ILE . 36.4 m-85 . . . . . 0 N--CA 1.437 -1.084 0 C-N-CA 126.76 2.024 . . . . 0.0 116.369 -167.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.062 0 N-CA-C 114.825 1.417 . . . . 0.0 114.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -48.48 -37.78 18.35 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 119.907 -1.745 . . . . 0.0 112.834 158.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.27 3.98 25.45 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 128.391 2.676 . . . . 0.0 115.194 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . 0.487 ' O ' HG12 ' C' ' 53' ' ' ILE . . . -64.79 -46.55 81.59 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -164.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.02 -38.96 58.69 Favored 'General case' 0 C--O 1.177 -2.728 0 CA-C-N 119.324 0.965 . . . . 0.0 112.681 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.55 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 120.586 -1.321 . . . . 0.0 113.77 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.96 -49.36 24.9 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 119.865 1.211 . . . . 0.0 112.057 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.487 HG12 ' O ' ' C' ' 49' ' ' ALA . 36.2 mm -63.28 -44.55 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 123.999 0.812 . . . . 0.0 110.958 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -74.32 -20.69 60.02 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.23 -67.02 0.49 Allowed 'General case' 0 N--CA 1.446 -0.651 0 O-C-N 120.937 -1.102 . . . . 0.0 110.846 155.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.293 0.4 OUTLIER -61.31 -51.35 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 121.333 -0.854 . . . . 0.0 112.58 -166.025 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.17 21.07 0.61 Allowed 'General case' 0 N--CA 1.44 -0.949 0 O-C-N 119.493 -2.004 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.92 -44.86 3.0 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.808 2.043 . . . . 0.0 110.609 159.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -57.92 -36.99 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 125.513 1.525 . . . . 0.0 110.569 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.479 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 3.0 mm -46.61 -61.36 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 C-N-CA 126.306 1.842 . . . . 0.0 112.16 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -66.32 -37.03 84.44 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.475 2.71 . . . . 0.0 112.895 -169.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.13 71.28 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 126.227 1.811 . . . . 0.0 111.011 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.29 86.44 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 125.393 1.473 . . . . 0.0 115.503 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.21 7.83 30.1 Favored Glycine 0 C--O 1.202 -1.876 0 C-N-CA 126.187 1.851 . . . . 0.0 115.637 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 2.8 m-85 . . . . . 0 C--O 1.193 -1.908 0 CA-C-N 119.482 1.641 . . . . 0.0 113.773 -173.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.189 -2.112 0 CA-C-O 122.036 0.922 . . . . 0.0 112.141 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -92.33 -32.96 14.79 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 126.647 1.979 . . . . 0.0 113.85 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.19 -19.43 64.5 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.972 1.709 . . . . 0.0 112.262 175.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.92 9.08 1.26 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.919 1.688 . . . . 0.0 114.76 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.85 -56.26 2.72 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.259 -1.526 . . . . 0.0 110.644 149.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.24 69.63 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.43 76.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.783 1.278 . . . . 0.0 111.007 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.7 -43.57 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 124.677 1.191 . . . . 0.0 110.521 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.0 -16.48 53.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.33 -72.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 122.067 0.937 . . . . 0.0 111.304 149.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -37.72 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 O-C-N 119.912 -1.743 . . . . 0.0 112.642 -155.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.65 64.87 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 121.053 1.751 . . . . 0.0 113.907 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.21 -35.96 40.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.91 1.284 . . . . 0.0 111.388 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.02 -41.3 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 127.054 2.142 . . . . 0.0 109.302 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.485 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 40.9 mt -52.69 -52.0 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.069 2.148 . . . . 0.0 114.205 166.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -59.31 -26.29 64.87 Favored 'General case' 0 C--O 1.209 -1.078 0 C-N-CA 125.331 1.452 . . . . 0.0 113.518 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.0 -41.67 17.03 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.6 1.16 . . . . 0.0 112.979 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -44.22 31.2 Favored Glycine 0 C--O 1.196 -2.251 0 C-N-CA 124.638 1.113 . . . . 0.0 114.196 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.64 24.92 16.69 Favored Glycine 0 C--O 1.209 -1.441 0 C-N-CA 125.032 1.301 . . . . 0.0 114.338 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 9' ' ' ILE . 14.4 m-85 . . . . . 0 N--CA 1.434 -1.226 0 CA-C-O 123.539 1.637 . . . . 0.0 113.109 174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.422 -1.834 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -49.32 -32.1 10.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 163.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.86 -2.72 41.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.667 1.987 . . . . 0.0 115.91 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.53 20.04 4.19 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 118.801 -2.437 . . . . 0.0 114.861 -168.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.96 -52.04 3.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 120.502 -1.374 . . . . 0.0 109.662 146.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.22 70.2 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 114.684 -172.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.85 69.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.698 1.713 . . . . 0.0 111.837 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' D' ' 87' ' ' PHE . 18.1 mm -72.43 -39.43 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.696 -169.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.97 -22.0 61.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.022 1.729 . . . . 0.0 112.467 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 -64.34 0.93 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.381 0.672 . . . . 0.0 111.297 156.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 9' ' ' ILE . 3.9 tt -65.05 -41.19 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -163.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.5 -30.38 71.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 119.813 1.188 . . . . 0.0 113.205 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.41 52.43 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.735 1.214 . . . . 0.0 112.714 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.54 -39.31 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.63 1.572 . . . . 0.0 109.267 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 46.3 mt -58.48 -45.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 127.207 2.203 . . . . 0.0 112.924 169.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -59.61 -24.36 63.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 114.415 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -49.04 8.61 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 125.126 1.37 . . . . 0.0 111.866 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -42.83 93.18 Favored Glycine 0 C--O 1.199 -2.059 0 CA-C-N 119.599 1.09 . . . . 0.0 115.21 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.65 39.42 48.93 Favored Glycine 0 C--O 1.203 -1.821 0 CA-C-N 119.829 1.815 . . . . 0.0 113.301 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' D' ' 75' ' ' ILE . 79.5 m-85 . . . . . 0 C--O 1.19 -2.042 0 C-N-CA 126.087 1.755 . . . . 0.0 114.953 -174.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.856 0 N-CA-C 113.05 0.759 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -52.65 -33.17 45.74 Favored 'General case' 0 C--O 1.189 -2.129 0 O-C-N 120.783 -1.198 . . . . 0.0 113.891 160.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.39 -5.73 59.28 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 128.328 2.651 . . . . 0.0 114.621 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.64 43.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.132 -161.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -36.45 33.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.868 1.667 . . . . 0.0 112.791 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.85 97.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 119.887 -1.758 . . . . 0.0 112.564 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.68 64.01 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.127 0.971 . . . . 0.0 111.454 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.11 -50.89 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 122.869 0.468 . . . . 0.0 111.052 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.23 -40.77 91.39 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.36 -4.17 31.74 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.27 0.3 OUTLIER -121.54 -52.37 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 177.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.63 67.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 122.078 2.217 . . . . 0.0 112.402 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.0 -26.66 43.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.494 -1.379 . . . . 0.0 110.732 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.63 -39.55 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 119.789 -1.819 . . . . 0.0 109.151 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.03 -45.65 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 124.936 1.294 . . . . 0.0 113.667 167.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.669 1.188 . . . . 0.0 112.609 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 -46.81 13.52 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 124.934 1.293 . . . . 0.0 113.927 167.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.52 -54.68 11.88 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 126.149 1.833 . . . . 0.0 112.847 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.86 50.75 6.24 Favored Glycine 0 N--CA 1.441 -1.028 0 O-C-N 120.483 -1.598 . . . . 0.0 112.306 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.439 ' CB ' HG21 ' C' ' 53' ' ' ILE . 22.1 m-85 . . . . . 0 N--CA 1.436 -1.169 0 C-N-CA 127.931 2.493 . . . . 0.0 113.168 -168.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.407 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -56.34 -27.59 56.37 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.048 1.339 . . . . 0.0 114.208 162.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.45 -4.99 55.83 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.346 1.858 . . . . 0.0 114.639 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.86 87.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.825 -1.172 . . . . 0.0 112.919 -169.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.79 -19.94 63.06 Favored 'General case' 0 C--O 1.163 -3.477 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -46.11 20.78 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 127.39 2.276 . . . . 0.0 114.451 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.08 23.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 123.601 1.667 . . . . 0.0 111.045 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . 0.439 HG21 ' CB ' ' B' ' 43' ' ' PHE . 29.5 mm -69.83 -43.93 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.271 -176.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -71.59 -18.99 62.19 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -68.26 0.39 Allowed 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.218 0.532 . . . . 0.0 110.991 156.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -41.65 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.494 -160.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.8 66.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.52 24.47 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.643 0.777 . . . . 0.0 112.108 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.81 -41.37 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.907 1.683 . . . . 0.0 109.428 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.474 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 25.2 mt -53.73 -46.16 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 125.943 1.697 . . . . 0.0 114.919 168.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -30.15 71.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.625 0.578 . . . . 0.0 112.222 177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.19 30.64 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 124.644 1.178 . . . . 0.0 113.32 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.69 -52.15 48.11 Favored Glycine 0 C--O 1.186 -2.845 0 C-N-CA 124.828 1.204 . . . . 0.0 115.502 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.97 10.72 Favored Glycine 0 C--O 1.206 -1.607 0 C-N-CA 126.15 1.834 . . . . 0.0 114.827 -172.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 87.3 m-85 . . . . . 0 C--O 1.193 -1.876 0 C-N-CA 126.249 1.819 . . . . 0.0 113.452 -171.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.858 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -52.59 -33.12 44.68 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 125.454 1.502 . . . . 0.0 113.48 159.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.32 -3.43 55.33 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.726 2.81 . . . . 0.0 114.237 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.1 15.37 2.86 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 -170.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.88 -54.07 3.32 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.847 -1.783 . . . . 0.0 110.153 148.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.26 -43.56 64.45 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.92 79.67 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 123.4 1.572 . . . . 0.0 111.328 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.505 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.2 mm -75.93 -41.42 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.321 -1.308 . . . . 0.0 111.253 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -72.58 -23.78 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.948 -1.095 . . . . 0.0 112.545 -176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.31 -74.85 0.07 Allowed 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.634 0.73 . . . . 0.0 110.647 152.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 tt -68.47 -39.28 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 O-C-N 120.306 -1.496 . . . . 0.0 112.28 -152.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.27 66.38 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 119.98 1.264 . . . . 0.0 113.753 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.09 -36.17 55.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.933 1.293 . . . . 0.0 112.257 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.36 -41.52 80.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 111.349 172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.461 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 31.7 mt -55.28 -47.35 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 125.478 1.511 . . . . 0.0 114.015 169.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -57.87 -28.47 64.19 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.443 1.097 . . . . 0.0 111.914 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.82 14.51 Favored 'General case' 0 C--O 1.196 -1.727 0 C-N-CA 126.158 1.783 . . . . 0.0 112.575 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.69 -38.28 57.12 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 127.073 2.273 . . . . 0.0 116.654 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.98 36.55 40.98 Favored Glycine 0 C--O 1.201 -1.914 0 CA-C-N 120.411 2.106 . . . . 0.0 115.53 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 9' ' ' ILE . 57.3 m-85 . . . . . 0 C--O 1.188 -2.169 0 C-N-CA 128.624 2.769 . . . . 0.0 115.694 -178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.104 0 N-CA-C 115.447 1.647 . . . . 0.0 115.447 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.85 -36.66 83.97 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -161.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.4 -3.54 37.58 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 126.198 1.799 . . . . 0.0 115.381 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -53.71 47.98 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -168.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.07 76.35 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 121.768 2.076 . . . . 0.0 112.572 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -39.92 68.27 Favored 'General case' 0 C--O 1.209 -1.032 0 C-N-CA 126.189 1.795 . . . . 0.0 113.261 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.01 -49.63 11.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 123.712 1.72 . . . . 0.0 111.815 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mm -75.8 -32.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.968 1.307 . . . . 0.0 111.129 -165.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -61.28 -41.11 96.39 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 118.693 0.678 . . . . 0.0 110.819 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.96 12.64 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.902 2.081 . . . . 0.0 114.348 174.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -49.99 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 126.166 1.786 . . . . 0.0 112.123 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.27 85.13 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 121.391 1.905 . . . . 0.0 113.465 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.11 61.29 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 124.604 1.161 . . . . 0.0 112.544 174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -85.05 -38.75 13.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 125.571 1.549 . . . . 0.0 110.969 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.27 -46.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 126.909 2.083 . . . . 0.0 112.646 165.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -53.38 -29.46 34.74 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 127.576 2.35 . . . . 0.0 111.659 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.44 -51.82 5.51 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.951 1.705 . . . . 0.0 112.753 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.49 -49.68 54.65 Favored Glycine 0 C--O 1.199 -2.072 0 C-N-CA 125.316 1.436 . . . . 0.0 115.731 -171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.72 2.68 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 126.011 1.767 . . . . 0.0 113.234 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' D' ' 75' ' ' ILE . 10.8 m-85 . . . . . 0 C--O 1.205 -1.265 0 C-N-CA 128.15 2.58 . . . . 0.0 114.799 -163.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.852 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -56.31 -28.25 58.23 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 164.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -8.19 57.34 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 128.116 2.566 . . . . 0.0 114.611 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.83 -43.37 58.95 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -161.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.0 70.31 Favored 'General case' 0 C--O 1.168 -3.231 0 CA-C-N 119.3 0.954 . . . . 0.0 112.161 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.03 67.46 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 119.63 -1.919 . . . . 0.0 112.296 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -72.98 -45.45 57.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.568 -1.958 . . . . 0.0 111.73 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.538 HG21 ' CB ' ' C' ' 65' ' ' PHE . 10.3 mm -76.72 -30.86 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.734 1.614 . . . . 0.0 110.538 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -62.36 -40.82 97.65 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 118.366 0.53 . . . . 0.0 112.029 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.91 26.86 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 127.745 2.418 . . . . 0.0 116.066 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -108.72 -50.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 126.944 2.098 . . . . 0.0 113.87 171.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.75 80.83 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 121.762 2.074 . . . . 0.0 113.201 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.24 61.7 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 125.137 1.375 . . . . 0.0 113.281 174.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.15 -36.71 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 126.056 1.743 . . . . 0.0 110.001 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 70.2 mt -50.05 -44.39 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 119.255 -2.153 . . . . 0.0 113.311 163.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -56.25 -28.58 59.02 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.533 1.533 . . . . 0.0 111.566 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.24 -38.7 12.52 Favored 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 125.894 1.678 . . . . 0.0 114.244 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 -24.37 61.76 Favored Glycine 0 C--O 1.2 -2.012 0 C-N-CA 126.275 1.893 . . . . 0.0 116.176 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.57 39.43 68.01 Favored Glycine 0 C--O 1.2 -1.988 0 CA-C-N 120.068 1.934 . . . . 0.0 115.085 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 55.7 m-85 . . . . . 0 C--O 1.204 -1.294 0 C-N-CA 126.641 1.976 . . . . 0.0 115.02 -175.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.76 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -71.0 -23.44 62.19 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 125.832 1.653 . . . . 0.0 110.578 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.53 -16.63 60.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.52 2.328 . . . . 0.0 114.464 171.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.56 -46.14 27.6 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 -154.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.77 -50.84 71.08 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 119.862 1.21 . . . . 0.0 111.997 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.08 70.37 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 113.103 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.55 -55.54 11.31 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 119.833 -1.792 . . . . 0.0 110.328 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mt -82.88 -18.69 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.365 1.066 . . . . 0.0 112.88 -165.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.31 -19.74 65.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.098 -1.626 . . . . 0.0 113.734 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.1 -60.8 2.21 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.218 1.007 . . . . 0.0 111.744 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -67.11 -36.86 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 O-C-N 120.389 -1.445 . . . . 0.0 113.712 -163.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.22 67.3 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 119.207 -2.183 . . . . 0.0 115.285 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 -35.77 37.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.88 0.847 . . . . 0.0 110.663 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.0 -46.95 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 C-N-CA 127.351 2.261 . . . . 0.0 108.643 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 58.1 mt -53.48 -48.24 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 114.186 170.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -59.76 -26.61 65.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.03 10.47 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.339 -1.476 . . . . 0.0 113.816 166.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.54 -14.44 79.99 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 116.674 1.429 . . . . 0.0 116.674 -166.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.69 49.14 81.86 Favored Glycine 0 C--O 1.211 -1.298 0 CA-C-N 120.321 2.061 . . . . 0.0 114.086 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' B' ' 31' ' ' ILE . 12.4 m-85 . . . . . 0 C--O 1.188 -2.141 0 C-N-CA 126.288 1.835 . . . . 0.0 114.283 -165.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.408 0 N-CA-C 116.588 2.07 . . . . 0.0 116.588 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -65.35 -36.65 84.68 Favored 'General case' 0 C--O 1.206 -1.203 0 O-C-N 120.114 -1.616 . . . . 0.0 111.331 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -18.79 56.68 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.188 1.795 . . . . 0.0 115.314 167.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.74 12.92 5.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.907 -1.746 . . . . 0.0 114.522 -166.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.26 -58.18 2.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.119 1.368 . . . . 0.0 107.724 155.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.35 78.68 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.052 1.741 . . . . 0.0 113.969 -172.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.63 88.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.509 1.924 . . . . 0.0 109.895 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' A' ' 21' ' ' PHE . 10.0 mm -67.87 -42.54 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 126.211 1.805 . . . . 0.0 109.836 -178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.77 -27.73 67.83 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.989 1.315 . . . . 0.0 113.782 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 -62.1 1.76 Allowed 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.524 1.129 . . . . 0.0 110.678 158.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -42.34 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -166.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.95 71.42 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 119.672 -1.893 . . . . 0.0 114.234 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -31.65 62.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 119.804 -1.81 . . . . 0.0 113.071 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.74 -42.01 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 126.899 2.08 . . . . 0.0 109.639 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 71.7 mt -57.64 -45.16 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 112.57 171.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -58.38 -25.59 62.23 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.985 1.314 . . . . 0.0 113.383 173.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.74 -44.85 10.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 120.714 -1.241 . . . . 0.0 114.041 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.34 -26.62 32.8 Favored Glycine 1 C--O 1.142 -5.647 0 CA-C-O 116.046 -2.53 . . . . 0.0 117.842 -166.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.25 62.08 4.41 Favored Glycine 0 C--O 1.203 -1.841 0 CA-C-N 123.486 3.643 . . . . 0.0 112.648 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.5 m-85 . . . . . 0 C--O 1.176 -2.768 0 C-N-CA 128.091 2.556 . . . . 0.0 113.404 -169.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.156 0 N-CA-C 117.167 2.284 . . . . 0.0 117.167 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.75 -32.45 69.25 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 126.887 2.075 . . . . 0.0 111.765 172.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 -10.7 56.96 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 128.026 2.531 . . . . 0.0 114.411 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.56 -55.34 28.23 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.37 -164.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.21 -43.19 42.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.68 72.93 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 125.468 1.507 . . . . 0.0 114.919 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' B' ' 34' ' ' ILE . . . -78.54 -40.43 35.0 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 119.872 1.215 . . . . 0.0 111.969 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.68 -50.95 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 121.528 -0.732 . . . . 0.0 111.599 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -74.52 -18.0 60.67 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -76.97 0.06 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 118.121 0.418 . . . . 0.0 111.591 148.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -38.75 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 120.17 -1.581 . . . . 0.0 112.727 -157.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.39 64.34 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 121.498 1.954 . . . . 0.0 112.277 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.15 65.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.622 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.12 -40.66 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 125.064 1.346 . . . . 0.0 108.952 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 37.5 mt -54.51 -48.66 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 126.879 2.072 . . . . 0.0 112.912 168.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.8 -30.11 63.38 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 125.027 1.331 . . . . 0.0 112.956 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.63 -41.65 17.57 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 125.664 1.586 . . . . 0.0 114.678 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.09 49.14 Favored Glycine 0 C--O 1.205 -1.707 0 C-N-CA 125.944 1.735 . . . . 0.0 113.956 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.97 26.5 12.5 Favored Glycine 0 C--O 1.214 -1.137 0 C-N-CA 126.049 1.785 . . . . 0.0 114.483 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CB ' HG21 ' D' ' 75' ' ' ILE . 27.1 m-85 . . . . . 0 C--O 1.174 -2.879 0 C-N-CA 126.658 1.983 . . . . 0.0 113.872 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -0.97 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -48.91 -36.14 16.54 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 119.941 1.246 . . . . 0.0 112.172 159.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.08 -1.3 57.78 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 127.002 2.121 . . . . 0.0 115.254 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.78 53.63 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.88 73.38 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 119.564 1.075 . . . . 0.0 111.806 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.44 82.13 Favored 'General case' 0 C--O 1.191 -1.998 0 C-N-CA 125.062 1.345 . . . . 0.0 112.711 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.44 30.61 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.514 1.961 . . . . 0.0 111.765 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.532 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.4 mm -75.96 -37.35 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 C-N-CA 123.937 0.895 . . . . 0.0 110.454 -167.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.26 -21.17 61.42 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 112.725 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.12 -65.04 0.73 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 158.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . 0.452 HD11 ' HB1' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -68.13 -40.05 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.63 -161.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -31.59 72.88 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 120.098 1.317 . . . . 0.0 112.94 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.87 -37.04 49.1 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.969 1.308 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.81 -40.28 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.4 1.88 . . . . 0.0 109.019 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 31.0 mt -59.74 -52.16 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 118.706 -2.496 . . . . 0.0 112.142 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -54.57 -29.02 50.01 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.52 1.528 . . . . 0.0 112.492 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.29 -38.96 17.0 Favored 'General case' 0 C--O 1.196 -1.728 0 N-CA-C 114.374 1.249 . . . . 0.0 114.374 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.88 -20.25 68.49 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 126.792 2.139 . . . . 0.0 118.395 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.86 24.79 66.09 Favored Glycine 0 C--O 1.204 -1.764 0 CA-C-N 118.598 1.199 . . . . 0.0 114.229 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 95.2 m-85 . . . . . 0 C--O 1.207 -1.173 0 C-N-CA 126.324 1.85 . . . . 0.0 115.46 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . 0.266 . . . . . . . 0 N--CA 1.434 -1.267 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.41 -32.15 73.63 Favored 'General case' 0 C--O 1.189 -2.083 0 C-N-CA 126.023 1.729 . . . . 0.0 111.595 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -16.07 61.44 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 129.382 3.073 . . . . 0.0 113.515 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -58.9 6.18 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.569 0.622 . . . . 0.0 112.083 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.05 0.59 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.662 1.585 . . . . 0.0 114.776 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.33 -58.74 2.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 120.937 1.699 . . . . 0.0 111.319 149.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.77 -62.36 1.75 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.905 2.082 . . . . 0.0 115.21 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -22.24 16.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 O-C-N 120.038 -1.664 . . . . 0.0 111.498 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.73 56.59 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 125.84 1.656 . . . . 0.0 109.873 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.79 52.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 123.992 0.807 . . . . 0.0 110.121 163.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -38.65 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 O-C-N 121.17 -0.956 . . . . 0.0 113.018 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.07 75.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 120.378 -1.451 . . . . 0.0 114.437 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.9 74.06 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 125.719 1.608 . . . . 0.0 111.415 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.11 -46.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.837 2.855 . . . . 0.0 110.015 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 72.5 mt -53.24 -46.9 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 127.256 2.222 . . . . 0.0 115.697 169.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -56.23 -26.98 53.27 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 124.704 1.252 . . . . 0.0 112.725 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.01 -39.36 12.26 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 126.516 1.926 . . . . 0.0 114.781 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.16 -15.55 71.79 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 127.325 2.393 . . . . 0.0 118.36 -171.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.2 44.86 93.25 Favored Glycine 0 C--O 1.187 -2.801 0 CA-C-N 121.729 2.765 . . . . 0.0 114.191 167.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.532 ' CB ' HG21 ' B' ' 31' ' ' ILE . 58.6 m-85 . . . . . 0 C--O 1.203 -1.373 0 C-N-CA 127.465 2.306 . . . . 0.0 113.624 -169.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.443 -0.789 0 N-CA-C 116.201 1.926 . . . . 0.0 116.201 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.9 -30.1 69.98 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.738 -1.851 . . . . 0.0 112.96 165.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.22 -7.22 22.2 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 127.804 2.442 . . . . 0.0 115.183 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.13 16.13 4.56 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 118.026 -2.921 . . . . 0.0 117.21 -166.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.02 -52.3 3.2 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.138 0.273 . . . . 0.0 110.887 147.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.28 72.45 Favored 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 125.935 1.694 . . . . 0.0 114.103 -173.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.65 77.9 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 125.507 1.523 . . . . 0.0 110.741 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.3 mm -64.83 -46.53 91.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 125.633 1.573 . . . . 0.0 110.846 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.06 -26.42 67.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 117.957 -1.02 . . . . 0.0 113.23 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.38 -64.43 0.86 Allowed 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 123.696 0.798 . . . . 0.0 111.973 159.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.295 0.2 OUTLIER -58.45 -49.98 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -170.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.29 17.82 0.6 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.06 1.344 . . . . 0.0 114.082 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.33 -37.59 3.73 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.224 1.81 . . . . 0.0 111.866 159.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.81 -31.21 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.236 -2.165 . . . . 0.0 110.543 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . 1.2 mm -51.98 -56.18 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 128.973 2.909 . . . . 0.0 112.833 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.89 -34.23 76.25 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 127.659 2.384 . . . . 0.0 113.562 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.66 64.29 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 128.318 2.647 . . . . 0.0 113.084 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.91 -30.77 60.93 Favored Glycine 0 C--O 1.169 -3.927 0 C-N-CA 125.764 1.65 . . . . 0.0 114.098 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.87 6.25 58.18 Favored Glycine 0 N--CA 1.418 -2.53 0 C-N-CA 126.885 2.184 . . . . 0.0 113.902 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' D' ' 82' ' ' ILE . 1.6 m-85 . . . . . 0 C--O 1.201 -1.485 0 CA-C-N 118.152 0.976 . . . . 0.0 111.816 -177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -0.989 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -51.56 -34.16 35.59 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 125.918 1.687 . . . . 0.0 112.182 160.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.02 -3.91 58.37 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 127.249 2.219 . . . . 0.0 114.615 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.08 -52.39 65.12 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 120.03 1.286 . . . . 0.0 111.886 -162.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.53 61.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 120.023 1.283 . . . . 0.0 113.383 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.37 83.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.6 -44.48 28.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.314 1.046 . . . . 0.0 110.909 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' D' ' 87' ' ' PHE . 24.7 mm -68.9 -46.74 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.678 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.93 -23.91 60.75 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.181 0.593 . . . . 0.0 112.35 -170.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.17 -69.03 0.24 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 122.538 1.161 . . . . 0.0 114.098 156.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.283 4.3 tt -59.41 -53.66 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 O-C-N 120.855 -1.153 . . . . 0.0 113.263 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.47 9.63 1.01 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 122.078 2.217 . . . . 0.0 115.339 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.32 -40.69 5.75 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.975 2.11 . . . . 0.0 111.002 162.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.66 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 127.498 2.319 . . . . 0.0 111.399 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -40.51 -60.6 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 C-N-CA 129.471 3.108 . . . . 0.0 111.26 170.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -66.92 -39.34 87.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.253 2.621 . . . . 0.0 113.923 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.77 -32.84 70.09 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 126.813 2.045 . . . . 0.0 112.087 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.93 -61.15 3.37 Favored Glycine 0 C--O 1.198 -2.153 0 O-C-N 120.671 -1.268 . . . . 0.0 112.804 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.04 3.03 10.94 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 125.334 1.445 . . . . 0.0 115.381 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.32 0.0 OUTLIER . . . . . 0 N--CA 1.425 -1.696 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -174.528 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.885 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -51.66 -30.49 21.89 Favored 'General case' 0 C--O 1.211 -0.956 0 C-N-CA 125.195 1.398 . . . . 0.0 113.718 159.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.33 0.81 56.53 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 127.698 2.399 . . . . 0.0 116.536 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.26 4.02 32.82 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -168.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.88 -54.05 5.15 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 121.709 2.049 . . . . 0.0 108.998 150.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.88 79.53 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.304 1.841 . . . . 0.0 114.052 -170.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.95 80.84 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 122.087 0.946 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' C' ' 65' ' ' PHE . 22.1 mm -82.09 -40.24 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.571 1.549 . . . . 0.0 110.766 -174.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -78.93 -18.69 53.38 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -76.55 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.119 0.961 . . . . 0.0 111.272 145.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.66 -39.57 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 120.76 -1.213 . . . . 0.0 113.613 -153.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.34 64.6 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 120.547 1.522 . . . . 0.0 114.469 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.98 27.91 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.168 1.787 . . . . 0.0 112.338 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.19 -39.33 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 126.236 1.814 . . . . 0.0 109.154 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 24.9 mt -56.86 -45.97 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 120.125 -1.609 . . . . 0.0 115.154 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.668 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -49.06 10.29 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 119.529 1.059 . . . . 0.0 112.841 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.08 98.6 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 116.94 1.536 . . . . 0.0 116.94 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.08 41.85 25.98 Favored Glycine 0 C--O 1.207 -1.555 0 C-N-CA 126.432 1.968 . . . . 0.0 114.428 -172.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 84.5 m-85 . . . . . 0 C--O 1.202 -1.443 0 C-N-CA 126.117 1.767 . . . . 0.0 115.157 -174.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.185 -2.328 0 N-CA-C 113.227 0.825 . . . . 0.0 113.227 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -109.01 -13.92 14.64 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.874 2.47 . . . . 0.0 113.923 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -81.28 -9.07 59.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 174.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.88 -60.59 3.16 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.958 1.303 . . . . 0.0 114.008 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -33.47 69.79 Favored 'General case' 0 C--O 1.205 -1.279 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.46 -28.4 63.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 124.889 1.276 . . . . 0.0 112.332 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' D' ' 78' ' ' ILE . . . -74.81 -82.21 0.07 Allowed 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 119.87 1.213 . . . . 0.0 112.039 161.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -24.5 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -155.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -36.84 12.73 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.101 -169.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.46 -48.08 72.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.976 0.91 . . . . 0.0 109.206 159.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.02 -35.87 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 O-C-N 120.332 -1.48 . . . . 0.0 114.193 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.04 70.33 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 120.039 1.291 . . . . 0.0 113.823 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.21 -35.09 48.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.87 1.668 . . . . 0.0 113.593 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.93 -36.26 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.3 1.84 . . . . 0.0 111.057 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' C' ' 65' ' ' PHE . 43.5 mt -60.05 -45.55 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 126.68 1.992 . . . . 0.0 113.804 168.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -55.92 -26.04 45.85 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 125.72 1.608 . . . . 0.0 113.156 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.37 8.93 Favored 'General case' 0 C--O 1.191 -2.016 0 C-N-CA 125.849 1.659 . . . . 0.0 113.76 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.05 -21.97 77.41 Favored Glycine 0 N--CA 1.434 -1.434 0 C-N-CA 126.42 1.962 . . . . 0.0 115.609 -171.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.71 26.97 61.73 Favored Glycine 0 C--O 1.203 -1.792 0 CA-C-N 121.957 2.878 . . . . 0.0 114.374 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' B' ' 31' ' ' ILE . 70.5 m-85 . . . . . 0 C--O 1.197 -1.71 0 C-N-CA 128.16 2.584 . . . . 0.0 112.617 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.419 -2.005 0 CA-C-O 121.985 0.898 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -58.86 -27.77 65.49 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 120.37 -1.457 . . . . 0.0 114.212 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.96 -1.98 8.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.406 2.283 . . . . 0.0 114.929 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.92 18.93 0.92 Allowed 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.67 -45.08 3.4 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.207 0.603 . . . . 0.0 111.824 150.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.43 85.77 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.814 1.645 . . . . 0.0 115.354 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -34.29 75.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.525 0.679 . . . . 0.0 110.434 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mm -71.12 -44.36 74.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 124.707 1.203 . . . . 0.0 111.837 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -63.45 -33.76 76.26 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.7 1.54 26.1 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 127.37 2.268 . . . . 0.0 115.661 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 78' ' ' ILE . . . . . 0.401 HG13 ' HB1' ' C' ' 52' ' ' ALA 0.252 16.4 tt -118.77 -51.32 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 121.101 1.773 . . . . 0.0 113.293 167.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.34 72.49 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.08 58.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.74 1.216 . . . . 0.0 113.523 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.18 -41.25 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 125.679 1.591 . . . . 0.0 107.669 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 82' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 25.8 mt -54.68 -47.47 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.082 2.153 . . . . 0.0 113.349 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.85 -30.49 61.55 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 111.808 173.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.92 -34.93 15.87 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.79 -27.89 52.48 Favored Glycine 0 C--O 1.211 -1.308 0 O-C-N 120.527 -1.358 . . . . 0.0 114.322 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.81 36.68 66.13 Favored Glycine 0 C--O 1.207 -1.591 0 CA-C-N 120.363 2.082 . . . . 0.0 112.681 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 87' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 96.6 m-85 . . . . . 0 N--CA 1.438 -1.065 0 C-N-CA 127.262 2.225 . . . . 0.0 114.683 -175.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.595 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -59.97 2.79 0.07 Allowed 'General case' 0 CA--C 1.493 -1.225 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -49.29 -37.13 22.87 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 119.779 1.172 . . . . 0.0 113.521 159.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -77.05 -2.89 36.36 Favored 'General case' 0 N--CA 1.442 -0.846 0 C-N-CA 128.449 2.7 . . . . 0.0 116.397 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.24 -45.24 70.26 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 115.307 1.595 . . . . 0.0 115.307 -163.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -51.77 -48.77 63.59 Favored 'General case' 0 C--O 1.209 -1.064 0 CA-C-N 120.46 1.482 . . . . 0.0 112.559 174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.54 -36.63 76.52 Favored 'General case' 0 N--CA 1.439 -0.997 0 C-N-CA 127.082 2.153 . . . . 0.0 113.894 176.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -77.88 -49.19 14.71 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-O 123.037 1.399 . . . . 0.0 112.676 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.543 ' HA ' HG22 ' A' ' 12' ' ' ILE . 4.6 mm -75.54 -34.11 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.784 0 C-N-CA 126.383 1.873 . . . . 0.0 111.084 -166.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -71.04 -21.42 62.26 Favored 'General case' 0 N--CA 1.446 -0.649 0 C-N-CA 123.816 0.847 . . . . 0.0 112.576 -178.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.71 -61.82 1.64 Allowed 'General case' 0 N--CA 1.444 -0.735 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 161.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.543 HG22 ' HA ' ' A' ' 9' ' ' ILE 0.252 15.9 tt -63.67 -43.79 98.21 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.7 0 O-C-N 119.918 -1.739 . . . . 0.0 112.894 -167.07 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.86 -26.24 68.24 Favored 'General case' 0 N--CA 1.442 -0.846 0 CA-C-N 121.356 1.889 . . . . 0.0 114.012 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.69 -37.73 49.02 Favored 'General case' 0 N--CA 1.444 -0.726 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 173.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.3 mt -68.98 -36.93 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.868 0 C-N-CA 125.242 1.417 . . . . 0.0 111.19 174.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.452 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 18.5 mt -53.65 -48.98 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.847 0 C-N-CA 128.736 2.814 . . . . 0.0 114.408 168.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -60.89 -28.76 69.13 Favored 'General case' 0 C--O 1.21 -0.984 0 C-N-CA 124.7 1.2 . . . . 0.0 111.583 175.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.62 -46.42 13.31 Favored 'General case' 0 C--O 1.2 -1.539 0 CA-C-N 119.663 1.12 . . . . 0.0 112.68 174.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.37 -46.39 78.6 Favored Glycine 0 C--O 1.198 -2.096 0 C-N-CA 125.558 1.551 . . . . 0.0 115.097 -177.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 86.34 43.87 6.08 Favored Glycine 0 C--O 1.2 -2.01 0 CA-C-O 122.393 0.996 . . . . 0.0 114.178 -178.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' HB3' HG21 ' D' ' 75' ' ' ILE . 72.8 m-85 -64.07 -54.6 31.59 Favored 'General case' 0 C--O 1.2 -1.533 0 C-N-CA 127.385 2.274 . . . . 0.0 115.487 -175.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.929 0 O-C-N 121.645 -0.659 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.858 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.12 -1.76 0.78 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 114.847 1.425 . . . . 0.0 114.847 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -47.78 -35.53 10.16 Favored 'General case' 0 C--O 1.201 -1.476 0 O-C-N 119.841 -1.787 . . . . 0.0 114.125 163.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.97 -1.24 38.66 Favored 'General case' 0 C--N 1.314 -0.965 0 C-N-CA 128.295 2.638 . . . . 0.0 115.02 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -86.82 6.08 33.43 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 -165.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -91.22 -55.34 3.57 Favored 'General case' 0 N--CA 1.442 -0.867 0 CA-C-N 119.868 1.213 . . . . 0.0 111.134 152.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.41 -39.08 72.46 Favored 'General case' 0 N--CA 1.44 -0.967 0 C-N-CA 126.54 1.936 . . . . 0.0 113.954 -174.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.443 ' HB1' HG13 ' A' ' 12' ' ' ILE . . . -72.78 -34.45 66.96 Favored 'General case' 0 N--CA 1.441 -0.925 0 O-C-N 120.071 -1.643 . . . . 0.0 113.049 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 18.6 mm -80.94 -37.47 16.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 C-N-CA 126.241 1.816 . . . . 0.0 109.2 -171.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -56.03 -38.81 71.06 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.558 1.143 . . . . 0.0 110.255 173.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.35 3.36 11.17 Favored 'General case' 0 C--N 1.315 -0.921 0 N-CA-C 116.127 1.899 . . . . 0.0 116.127 177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.537 HG13 ' HB1' ' A' ' 8' ' ' ALA . 18.8 tt -122.19 -45.08 2.07 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.894 0 C-N-CA 126.101 1.76 . . . . 0.0 112.642 163.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.85 -27.54 68.3 Favored 'General case' 0 N--CA 1.443 -0.794 0 CA-C-N 122.23 2.286 . . . . 0.0 114.322 -173.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.94 -21.65 54.49 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 124.44 1.096 . . . . 0.0 113.514 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.6 mp -91.32 -37.46 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 125.29 1.436 . . . . 0.0 110.531 177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 37.6 mt -49.03 -47.42 17.06 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 127.254 2.222 . . . . 0.0 111.941 164.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -52.0 -38.29 56.24 Favored 'General case' 0 C--O 1.213 -0.84 0 C-N-CA 125.796 1.639 . . . . 0.0 113.664 174.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -79.62 -47.11 15.99 Favored 'General case' 0 C--O 1.207 -1.147 0 C-N-CA 124.643 1.177 . . . . 0.0 112.901 171.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -49.23 49.34 Favored Glycine 0 C--O 1.204 -1.774 0 C-N-CA 126.133 1.825 . . . . 0.0 114.954 -173.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 84.06 43.96 6.9 Favored Glycine 0 C--O 1.216 -1.018 0 CA-C-N 119.082 1.441 . . . . 0.0 112.948 -175.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 24.3 m-85 -62.62 -48.43 79.42 Favored 'General case' 0 C--O 1.2 -1.547 0 C-N-CA 127.415 2.286 . . . . 0.0 112.859 -168.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.537 0 O-C-N 119.125 -2.234 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.745 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.36 3.09 0.72 Allowed 'General case' 0 N--CA 1.436 -1.13 0 C-N-CA 125.573 1.549 . . . . 0.0 114.234 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -51.73 -30.97 24.53 Favored 'General case' 0 C--O 1.208 -1.106 0 C-N-CA 126.625 1.97 . . . . 0.0 113.663 165.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -83.31 -10.15 58.67 Favored 'General case' 0 N--CA 1.439 -1.005 0 C-N-CA 126.669 1.988 . . . . 0.0 115.629 174.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -75.83 -37.62 58.85 Favored 'General case' 0 N--CA 1.443 -0.801 0 N-CA-C 117.283 2.327 . . . . 0.0 117.283 -158.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.86 -55.83 30.05 Favored 'General case' 0 N--CA 1.444 -0.732 0 C-N-CA 124.119 0.968 . . . . 0.0 110.7 169.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.76 -19.76 65.98 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 114.409 1.263 . . . . 0.0 114.409 178.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -76.5 -56.85 4.25 Favored 'General case' 0 C--O 1.209 -1.068 0 CA-C-O 123.11 1.433 . . . . 0.0 109.87 170.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 26.4 mt -84.89 -18.19 9.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 O-C-N 119.675 -1.891 . . . . 0.0 112.607 -164.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 56.7 mttm -70.45 -19.1 62.99 Favored 'General case' 0 C--O 1.21 -0.999 0 CA-C-N 119.28 0.946 . . . . 0.0 113.178 171.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.57 -60.3 2.4 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 124.869 1.268 . . . . 0.0 111.197 153.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.317 1.4 mp -65.69 -36.81 78.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.67 0 O-C-N 120.523 -1.361 . . . . 0.0 114.547 -162.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.61 -30.59 71.68 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 119.633 1.106 . . . . 0.0 113.647 173.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.59 -30.5 41.55 Favored 'General case' 0 N--CA 1.444 -0.763 0 C-N-CA 127.449 2.299 . . . . 0.0 111.927 177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 61.6 mt -73.94 -35.68 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 C-N-CA 128.733 2.813 . . . . 0.0 109.154 171.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.449 HG12 ' CD1' ' C' ' 65' ' ' PHE . 52.7 mt -60.99 -45.06 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 O-C-N 119.521 -1.987 . . . . 0.0 114.184 164.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -63.06 -23.43 67.44 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 117.495 -1.24 . . . . 0.0 113.912 172.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.19 -41.4 18.48 Favored 'General case' 0 C--O 1.206 -1.212 0 C-N-CA 126.683 1.993 . . . . 0.0 113.306 169.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . 0.411 ' O ' ' H3 ' ' D' ' 67' ' ' ACE . . . -68.81 -61.34 4.72 Favored Glycine 0 C--O 1.192 -2.476 0 C-N-CA 124.834 1.207 . . . . 0.0 114.697 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.02 37.04 6.91 Favored Glycine 0 C--O 1.208 -1.494 0 C-N-CA 126.859 2.171 . . . . 0.0 114.333 -167.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.449 ' CD1' HG12 ' C' ' 60' ' ' ILE . 72.3 m-85 -50.56 -64.17 0.89 Allowed 'General case' 0 C--O 1.196 -1.731 0 C-N-CA 128.382 2.673 . . . . 0.0 115.336 -170.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.288 -2.083 0 O-C-N 120.6 -1.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . 0.411 ' H3 ' ' O ' ' C' ' 63' ' ' GLY . . . . . . . . 0 C--O 1.221 -0.447 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.27 4.0 1.92 Allowed 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 123.743 0.817 . . . . 0.0 113.046 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -45.25 -35.02 3.12 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 125.8 1.64 . . . . 0.0 114.168 159.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.33 -5.41 57.54 Favored 'General case' 0 N--CA 1.438 -1.045 0 C-N-CA 127.593 2.357 . . . . 0.0 114.006 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -62.18 -49.82 74.28 Favored 'General case' 0 N--CA 1.441 -0.898 0 O-C-N 120.228 -1.545 . . . . 0.0 114.368 -167.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.87 -21.98 66.37 Favored 'General case' 0 C--O 1.174 -2.89 0 O-C-N 120.946 -1.097 . . . . 0.0 113.068 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.43 -32.55 32.61 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 127.139 2.176 . . . . 0.0 113.237 172.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -82.23 -54.85 4.93 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-N 120.701 1.591 . . . . 0.0 110.856 177.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.484 HG21 ' HB3' ' A' ' 21' ' ' PHE . 8.6 mm -69.89 -42.99 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.767 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.008 -165.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 59.8 mtpt -75.04 -23.79 58.17 Favored 'General case' 0 C--O 1.213 -0.836 0 CA-C-O 118.095 -0.955 . . . . 0.0 112.401 -170.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.03 -59.8 2.79 Favored 'General case' 0 N--CA 1.441 -0.92 0 O-C-N 124.172 0.92 . . . . 0.0 110.937 158.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -67.63 -38.21 80.03 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.799 0 O-C-N 120.512 -1.368 . . . . 0.0 113.557 -164.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.7 -25.82 64.05 Favored 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 120.756 1.616 . . . . 0.0 114.145 176.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.82 -36.89 41.88 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 172.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 61.2 mt -64.66 -41.66 92.86 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 C-N-CA 125.246 1.418 . . . . 0.0 110.109 171.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.436 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 70.2 mt -54.08 -48.47 64.93 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 O-C-N 119.42 -2.05 . . . . 0.0 115.187 167.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 7.9 tptt -53.65 -33.24 54.53 Favored 'General case' 0 C--O 1.206 -1.184 0 C-N-CA 125.168 1.387 . . . . 0.0 112.45 173.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -86.02 -37.34 19.04 Favored 'General case' 0 N--CA 1.438 -1.034 0 C-N-CA 125.935 1.694 . . . . 0.0 113.943 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -75.37 -66.85 1.82 Allowed Glycine 0 C--O 1.209 -1.44 0 C-N-CA 125.028 1.299 . . . . 0.0 114.246 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 93.77 53.45 1.8 Allowed Glycine 0 C--O 1.186 -2.905 0 C-N-CA 125.002 1.287 . . . . 0.0 112.762 -168.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.436 ' CE1' ' HA ' ' D' ' 82' ' ' ILE . 13.7 m-85 -65.87 -50.69 63.62 Favored 'General case' 0 C--O 1.182 -2.476 0 C-N-CA 127.822 2.449 . . . . 0.0 114.588 -164.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.287 -2.126 0 O-C-N 119.677 -1.889 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.217 -0.609 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.9 5.05 0.1 Allowed 'General case' 0 N--CA 1.442 -0.851 0 C-N-CA 126.063 1.745 . . . . 0.0 113.258 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -53.13 -30.63 37.93 Favored 'General case' 0 C--O 1.205 -1.274 0 CA-C-N 121.359 1.89 . . . . 0.0 113.229 157.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.24 3.43 43.14 Favored 'General case' 0 N--CA 1.436 -1.144 0 C-N-CA 127.344 2.257 . . . . 0.0 116.269 174.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.34 -55.17 26.81 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 -160.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.73 -27.38 69.16 Favored 'General case' 0 N--CA 1.443 -0.818 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.21 -34.26 74.59 Favored 'General case' 0 C--O 1.212 -0.889 0 O-C-N 121.105 -0.997 . . . . 0.0 113.078 171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.69 -83.17 0.04 OUTLIER 'General case' 0 N--CA 1.439 -1.021 0 CA-C-N 118.928 0.785 . . . . 0.0 112.466 164.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.93 -23.16 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 120.569 -1.332 . . . . 0.0 112.058 -154.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -97.27 -29.61 13.45 Favored 'General case' 0 N--CA 1.441 -0.911 0 CA-C-N 118.097 0.408 . . . . 0.0 111.017 -168.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -56.82 -53.5 57.1 Favored 'General case' 0 N--CA 1.445 -0.696 0 N-CA-C 109.101 -0.703 . . . . 0.0 109.101 157.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.251 1.6 mp -60.17 -36.29 67.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.689 0 CA-C-O 117.639 -1.172 . . . . 0.0 113.37 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.33 -33.51 76.0 Favored 'General case' 0 C--O 1.213 -0.816 0 N-CA-C 115.586 1.698 . . . . 0.0 115.586 174.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.42 -35.4 63.4 Favored 'General case' 0 N--CA 1.446 -0.669 0 C-N-CA 126.144 1.778 . . . . 0.0 112.96 173.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.9 mt -68.48 -41.49 83.22 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.924 0 C-N-CA 125.152 1.381 . . . . 0.0 109.108 173.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 65.9 mt -56.17 -49.03 78.3 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 128.86 2.864 . . . . 0.0 114.829 169.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 5.5 tppp? -53.56 -33.31 54.28 Favored 'General case' 0 N--CA 1.444 -0.735 0 C-N-CA 124.044 0.938 . . . . 0.0 112.278 173.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.44 24.86 Favored 'General case' 0 C--O 1.185 -2.323 0 O-C-N 119.735 -1.853 . . . . 0.0 114.468 169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -91.8 -15.19 55.24 Favored Glycine 0 C--O 1.199 -2.061 0 N-CA-C 118.251 2.06 . . . . 0.0 118.251 -166.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 66.47 44.22 90.68 Favored Glycine 1 C--O 1.162 -4.347 0 CA-C-N 120.056 1.928 . . . . 0.0 113.979 169.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.524 ' CB ' HG21 ' D' ' 75' ' ' ILE . 66.8 m-85 -67.88 -47.71 68.11 Favored 'General case' 0 C--N 1.291 -1.954 0 C-N-CA 127.584 2.354 . . . . 0.0 116.502 -173.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.527 0 O-C-N 119.0 -2.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.926 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 54.6 11.07 0.4 Allowed 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 126.477 1.911 . . . . 0.0 114.936 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -65.0 -27.55 68.9 Favored 'General case' 0 N--CA 1.439 -0.993 0 O-C-N 119.738 -1.851 . . . . 0.0 110.66 168.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.35 -6.83 48.65 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 128.212 2.605 . . . . 0.0 114.672 172.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -87.84 21.07 2.77 Favored 'General case' 0 N--CA 1.444 -0.732 0 N-CA-C 116.808 2.151 . . . . 0.0 116.808 -166.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -109.16 -47.79 3.36 Favored 'General case' 0 N--CA 1.443 -0.819 0 C-N-CA 124.208 1.003 . . . . 0.0 111.594 148.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.1 -35.97 78.44 Favored 'General case' 0 N--CA 1.445 -0.722 0 C-N-CA 127.389 2.275 . . . . 0.0 113.25 -175.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.3 -39.75 78.09 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-O 122.295 1.045 . . . . 0.0 110.703 176.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 11.7 mm -72.78 -43.11 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 C-N-CA 123.72 0.808 . . . . 0.0 109.902 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -72.97 -21.71 60.81 Favored 'General case' 0 N--CA 1.443 -0.805 0 C-N-CA 124.565 1.146 . . . . 0.0 112.846 -173.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.79 -66.83 0.5 Allowed 'General case' 0 N--CA 1.443 -0.825 0 C-N-CA 124.166 0.986 . . . . 0.0 112.382 157.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 7.9 tt -62.73 -48.44 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 CA-C-O 117.767 -1.111 . . . . 0.0 112.004 -167.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -74.97 11.72 1.03 Allowed 'General case' 0 C--O 1.191 -2.004 0 CA-C-N 120.554 1.525 . . . . 0.0 114.845 -176.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.26 -41.56 5.51 Favored 'General case' 0 C--N 1.316 -0.872 0 C-N-CA 126.951 2.1 . . . . 0.0 113.822 157.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 47.4 mt -58.61 -39.61 76.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 C-N-CA 127.374 2.269 . . . . 0.0 112.014 173.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.445 ' HA ' ' CE1' ' B' ' 43' ' ' PHE . 4.0 mm -44.4 -60.93 0.41 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 C-N-CA 131.09 3.756 . . . . 0.0 111.374 167.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -67.08 -37.67 84.38 Favored 'General case' 0 C--O 1.206 -1.195 0 C-N-CA 128.931 2.892 . . . . 0.0 111.521 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.91 -37.91 61.96 Favored 'General case' 0 N--CA 1.444 -0.739 0 C-N-CA 127.559 2.344 . . . . 0.0 112.803 177.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.94 -58.74 11.49 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 124.563 1.078 . . . . 0.0 112.712 168.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 109.9 17.11 9.9 Favored Glycine 0 C--O 1.196 -2.263 0 C-N-CA 126.429 1.966 . . . . 0.0 114.344 -172.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.445 ' CE1' ' HA ' ' B' ' 38' ' ' ILE . 0.0 OUTLIER -102.97 -5.38 23.5 Favored 'General case' 0 C--N 1.306 -1.322 0 C-N-CA 126.561 1.945 . . . . 0.0 114.005 -179.621 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.739 0 O-C-N 119.225 -2.172 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.132 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.05 4.81 0.41 Allowed 'General case' 0 N--CA 1.44 -0.927 0 C-N-CA 125.997 1.719 . . . . 0.0 114.491 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -56.57 -35.33 68.06 Favored 'General case' 0 C--O 1.192 -1.964 0 O-C-N 119.927 -1.733 . . . . 0.0 113.896 157.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -77.19 1.23 19.04 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 128.464 2.705 . . . . 0.0 115.478 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.71 -53.97 51.81 Favored 'General case' 0 N--CA 1.443 -0.803 0 O-C-N 120.722 -1.236 . . . . 0.0 114.185 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.72 -12.19 22.26 Favored 'General case' 0 C--O 1.192 -1.95 0 CA-C-N 120.616 1.553 . . . . 0.0 113.992 -178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.95 -45.68 10.03 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 119.3 -2.125 . . . . 0.0 115.487 162.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.42 -50.17 66.44 Favored 'General case' 0 N--CA 1.442 -0.841 0 O-C-N 120.109 -1.619 . . . . 0.0 111.647 -177.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 17.8 mm -65.36 -42.24 93.16 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 CA-C-N 114.011 -1.45 . . . . 0.0 110.007 -173.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -67.68 -36.13 80.12 Favored 'General case' 0 C--O 1.194 -1.837 0 C-N-CA 124.685 1.194 . . . . 0.0 113.443 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.96 -7.46 53.66 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 115.222 1.564 . . . . 0.0 115.222 174.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.253 0.3 OUTLIER -108.6 -60.58 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.661 0 CA-C-O 117.052 -1.451 . . . . 0.0 112.89 166.289 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.01 -8.76 57.18 Favored 'General case' 0 C--O 1.203 -1.366 0 CA-C-N 122.799 2.545 . . . . 0.0 115.502 -164.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.66 -28.74 19.27 Favored 'General case' 0 C--O 1.199 -1.57 0 C-N-CA 123.804 0.842 . . . . 0.0 113.233 164.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 mp -77.61 -40.55 28.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.918 0 C-N-CA 128.761 2.824 . . . . 0.0 110.989 175.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.546 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 29.2 mm -33.44 -57.57 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 128.74 2.816 . . . . 0.0 112.241 164.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 29.3 mttp -71.79 -40.3 69.32 Favored 'General case' 0 C--O 1.21 -1.013 0 C-N-CA 127.992 2.517 . . . . 0.0 112.587 -169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.0 -37.44 78.7 Favored 'General case' 0 C--O 1.207 -1.154 0 C-N-CA 125.646 1.579 . . . . 0.0 112.078 172.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -72.49 -54.01 8.07 Favored Glycine 0 C--O 1.215 -1.068 0 O-C-N 124.167 0.917 . . . . 0.0 112.655 177.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.29 30.35 5.99 Favored Glycine 0 C--O 1.189 -2.667 0 C-N-CA 127.459 2.457 . . . . 0.0 112.845 -176.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.546 ' CE1' ' HA ' ' C' ' 60' ' ' ILE 0.299 0.1 OUTLIER -106.09 -15.75 14.8 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-N 120.649 2.224 . . . . 0.0 115.591 -173.257 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 CA-C-N 117.848 0.295 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.944 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.69 -0.79 0.69 Allowed 'General case' 0 N--CA 1.441 -0.909 0 N-CA-C 114.956 1.465 . . . . 0.0 114.956 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -55.05 -26.29 36.51 Favored 'General case' 0 C--O 1.212 -0.918 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 166.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -84.07 -13.54 52.82 Favored 'General case' 0 C--O 1.211 -0.932 0 C-N-CA 128.371 2.669 . . . . 0.0 114.788 174.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.42 -44.9 81.67 Favored 'General case' 0 N--CA 1.444 -0.775 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -163.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.48 -33.34 71.19 Favored 'General case' 1 C--O 1.117 -5.903 0 O-C-N 119.922 -1.736 . . . . 0.0 112.782 175.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.5 -38.42 71.17 Favored 'General case' 0 C--N 1.297 -1.685 0 O-C-N 117.843 -3.036 . . . . 0.0 113.656 172.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -73.81 -49.93 22.88 Favored 'General case' 0 N--CA 1.435 -1.179 0 C-N-CA 125.48 1.512 . . . . 0.0 110.046 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.524 HG21 ' CB ' ' A' ' 21' ' ' PHE . 10.6 mm -72.28 -37.66 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.244 1.818 . . . . 0.0 110.644 -173.107 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -73.8 -21.35 60.18 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 113.62 0.97 . . . . 0.0 113.62 179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.81 0.78 Allowed 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 119.205 0.911 . . . . 0.0 110.496 155.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -42.19 95.52 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 120.471 -1.393 . . . . 0.0 112.959 -165.005 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.92 -31.87 73.21 Favored 'General case' 0 N--CA 1.443 -0.789 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.82 -29.92 29.14 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-O 122.968 1.366 . . . . 0.0 111.965 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.4 mt -71.94 -39.07 66.45 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 O-C-N 119.474 -2.016 . . . . 0.0 108.649 172.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.431 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 23.6 mt -51.8 -52.68 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 C-N-CA 125.561 1.544 . . . . 0.0 112.454 165.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -56.63 -26.98 57.42 Favored 'General case' 0 N--CA 1.443 -0.781 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 176.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -83.0 -49.31 9.71 Favored 'General case' 0 C--O 1.212 -0.872 0 C-N-CA 125.999 1.72 . . . . 0.0 112.712 169.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -63.06 -46.76 92.71 Favored Glycine 0 C--O 1.203 -1.783 0 C-N-CA 126.23 1.872 . . . . 0.0 114.83 -176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 82.47 40.03 10.35 Favored Glycine 0 C--O 1.19 -2.655 0 C-N-CA 126.434 1.968 . . . . 0.0 112.138 -174.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.431 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 75.4 m-85 -56.57 -31.38 64.16 Favored 'General case' 0 C--O 1.203 -1.344 0 C-N-CA 126.9 2.08 . . . . 0.0 114.468 -175.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.951 0 O-C-N 119.072 -2.267 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.209 -1.048 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.45 9.8 0.18 Allowed 'General case' 0 C--N 1.314 -0.973 0 C-N-CA 127.625 2.37 . . . . 0.0 114.632 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -63.52 -28.78 70.18 Favored 'General case' 0 C--O 1.208 -1.091 0 C-N-CA 125.866 1.666 . . . . 0.0 111.884 168.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.08 -11.67 61.05 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 129.125 2.97 . . . . 0.0 114.916 171.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -86.67 12.44 10.68 Favored 'General case' 0 C--O 1.215 -0.756 0 N-CA-C 116.816 2.154 . . . . 0.0 116.816 -166.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -93.07 -54.35 3.76 Favored 'General case' 0 C--N 1.316 -0.875 0 O-C-N 119.512 -1.992 . . . . 0.0 110.622 146.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.29 -37.8 67.79 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.758 1.623 . . . . 0.0 114.298 -173.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.34 -46.24 61.02 Favored 'General case' 0 C--O 1.196 -1.747 0 CA-C-O 122.24 1.019 . . . . 0.0 110.364 -177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.528 HG21 ' CB ' ' D' ' 87' ' ' PHE . 14.4 mm -66.51 -43.54 90.74 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.795 0 C-N-CA 125.542 1.537 . . . . 0.0 111.709 -178.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.4 mtpt -67.49 -27.41 66.98 Favored 'General case' 0 C--O 1.209 -1.072 0 C-N-CA 124.823 1.249 . . . . 0.0 114.282 -179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.4 -64.71 0.81 Allowed 'General case' 0 N--CA 1.438 -1.036 0 CA-C-N 118.453 0.57 . . . . 0.0 111.176 157.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 1.5 mp -63.26 -43.18 98.57 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 CA-C-O 116.224 -1.846 . . . . 0.0 112.745 -163.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.28 -31.94 73.22 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 122.706 2.503 . . . . 0.0 113.952 178.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.62 -33.63 58.39 Favored 'General case' 0 C--O 1.21 -0.975 0 C-N-CA 124.263 1.025 . . . . 0.0 113.22 174.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 44.4 mt -66.75 -44.1 89.56 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 126.194 1.798 . . . . 0.0 111.329 170.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.421 HG12 ' CD1' ' A' ' 21' ' ' PHE . 46.2 mt -55.55 -41.31 63.31 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.618 2.367 . . . . 0.0 113.715 171.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.4 tptt -60.82 -27.84 68.35 Favored 'General case' 0 C--O 1.21 -1.0 0 C-N-CA 124.914 1.286 . . . . 0.0 112.928 174.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.71 -41.78 14.83 Favored 'General case' 0 C--O 1.197 -1.667 0 C-N-CA 124.17 0.988 . . . . 0.0 111.956 170.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.46 -48.5 36.58 Favored Glycine 0 N--CA 1.436 -1.352 0 O-C-N 120.549 -1.345 . . . . 0.0 116.452 -176.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.14 28.91 47.83 Favored Glycine 0 C--O 1.197 -2.171 0 C-N-CA 126.834 2.159 . . . . 0.0 117.387 -171.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CD1' HG12 ' A' ' 16' ' ' ILE . 74.2 m-85 -41.87 -62.67 0.86 Allowed 'General case' 0 C--O 1.182 -2.485 0 C-N-CA 128.54 2.736 . . . . 0.0 114.835 -174.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.89 0 O-C-N 120.253 -1.529 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.849 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.4 -41.9 88.63 Favored 'General case' 0 C--O 1.203 -1.368 0 C-N-CA 127.428 2.291 . . . . 0.0 114.024 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -126.34 -9.56 6.36 Favored 'General case' 0 C--O 1.212 -0.878 0 C-N-CA 126.975 2.11 . . . . 0.0 113.855 175.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.54 -1.55 16.4 Favored 'General case' 0 N--CA 1.443 -0.817 0 C-N-CA 125.343 1.457 . . . . 0.0 114.211 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.424 ' O ' HG12 ' B' ' 31' ' ' ILE . . . -57.08 -55.49 34.04 Favored 'General case' 0 N--CA 1.442 -0.839 0 O-C-N 120.903 -1.123 . . . . 0.0 112.412 -170.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -52.28 -42.29 63.6 Favored 'General case' 0 C--O 1.164 -3.402 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.74 -35.43 78.05 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 175.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -78.69 -47.88 16.08 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 125.698 1.599 . . . . 0.0 112.588 177.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.428 HG21 ' HB3' ' C' ' 65' ' ' PHE . 13.6 mm -59.99 -50.04 81.66 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 O-C-N 121.743 -0.598 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.2 mttt -67.94 -29.16 68.16 Favored 'General case' 0 C--O 1.207 -1.162 0 C-N-CA 124.729 1.212 . . . . 0.0 113.262 -175.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.81 -2.04 57.84 Favored 'General case' 0 N--CA 1.439 -1.018 0 C-N-CA 125.253 1.421 . . . . 0.0 113.654 173.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.8 -56.92 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.945 0 CA-C-O 115.136 -2.364 . . . . 0.0 111.675 172.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -38.68 91.9 Favored 'General case' 0 N--CA 1.442 -0.827 0 CA-C-N 123.617 2.917 . . . . 0.0 113.033 -170.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -70.57 -27.93 64.51 Favored 'General case' 0 N--CA 1.442 -0.831 0 N-CA-C 114.181 1.178 . . . . 0.0 114.181 174.291 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -75.4 -41.94 42.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 C-N-CA 126.341 1.856 . . . . 0.0 111.977 173.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 64.0 mt -56.51 -43.96 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.735 0 C-N-CA 125.8 1.64 . . . . 0.0 112.419 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 39.2 tptt -55.48 -26.58 43.32 Favored 'General case' 0 N--CA 1.444 -0.774 0 C-N-CA 125.205 1.402 . . . . 0.0 114.519 176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -96.55 -35.62 11.03 Favored 'General case' 1 C--O 1.145 -4.404 0 C-N-CA 125.235 1.414 . . . . 0.0 114.419 167.215 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -90.92 -13.81 58.68 Favored Glycine 0 C--N 1.294 -1.795 0 O-C-N 118.28 -2.763 . . . . 0.0 117.367 -166.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 61.9 52.9 47.14 Favored Glycine 0 C--O 1.178 -3.366 0 CA-C-N 121.219 2.509 . . . . 0.0 114.754 167.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -72.87 -57.28 4.18 Favored 'General case' 0 C--O 1.198 -1.638 0 C-N-CA 127.134 2.174 . . . . 0.0 112.911 -162.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.509 0 O-C-N 119.104 -2.248 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.204 -1.31 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.76 -2.8 2.73 Favored 'General case' 0 C--N 1.318 -0.792 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -45.04 -38.35 4.82 Favored 'General case' 0 C--O 1.192 -1.922 0 CA-C-N 120.669 1.577 . . . . 0.0 113.417 157.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -78.36 -5.1 51.23 Favored 'General case' 0 N--CA 1.44 -0.948 0 C-N-CA 128.562 2.745 . . . . 0.0 114.633 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.36 -48.88 73.83 Favored 'General case' 0 C--O 1.206 -1.218 0 O-C-N 120.001 -1.687 . . . . 0.0 115.343 -167.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -54.3 -48.89 70.79 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 120.943 1.701 . . . . 0.0 112.194 175.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.18 76.28 Favored 'General case' 0 C--O 1.212 -0.874 0 C-N-CA 125.548 1.539 . . . . 0.0 114.773 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.07 -46.6 17.75 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 123.348 1.547 . . . . 0.0 112.55 178.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 3.9 mm -75.92 -33.78 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-N 114.641 -1.163 . . . . 0.0 110.361 -168.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt -67.14 -24.83 65.95 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-O 118.061 -0.971 . . . . 0.0 113.018 178.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.83 -64.49 0.88 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 118.386 0.539 . . . . 0.0 111.48 159.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.88 -37.87 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.71 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 -167.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.93 -24.82 61.69 Favored 'General case' 0 N--CA 1.443 -0.808 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.96 -33.2 34.07 Favored 'General case' 0 N--CA 1.445 -0.715 0 C-N-CA 125.9 1.68 . . . . 0.0 112.58 174.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 57.5 mt -69.45 -40.38 79.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 C-N-CA 125.692 1.597 . . . . 0.0 108.758 172.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.517 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 32.9 mt -51.15 -50.38 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 C-N-CA 126.124 1.77 . . . . 0.0 114.672 167.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 18.5 tppt? -61.78 -25.95 67.78 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 175.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.72 -49.51 10.36 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 124.662 1.185 . . . . 0.0 113.125 169.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.31 -38.62 93.84 Favored Glycine 0 C--O 1.208 -1.469 0 O-C-N 120.653 -1.279 . . . . 0.0 115.565 -176.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 81.67 42.16 9.28 Favored Glycine 0 C--O 1.188 -2.732 0 C-N-CA 124.901 1.238 . . . . 0.0 113.742 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.517 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 63.4 m-85 -62.48 -57.3 11.69 Favored 'General case' 0 C--O 1.2 -1.527 0 C-N-CA 126.915 2.086 . . . . 0.0 112.154 -166.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.966 0 O-C-N 121.479 -0.763 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.856 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.52 -5.86 0.4 Allowed 'General case' 0 N--CA 1.441 -0.891 0 N-CA-C 116.488 2.033 . . . . 0.0 116.488 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.62 -28.25 20.53 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 119.14 -2.225 . . . . 0.0 114.196 162.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.53 -5.01 53.99 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 127.881 2.472 . . . . 0.0 115.597 175.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.94 -41.92 61.32 Favored 'General case' 0 C--O 1.214 -0.815 0 N-CA-C 116.0 1.852 . . . . 0.0 116.0 -159.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.26 -45.57 87.57 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 120.338 1.426 . . . . 0.0 111.991 169.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.06 89.7 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 118.601 -0.714 . . . . 0.0 112.39 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.32 -39.04 85.85 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 120.478 1.49 . . . . 0.0 112.672 176.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 45.7 mt -97.95 -17.0 6.9 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.967 0 CA-C-O 118.399 -0.81 . . . . 0.0 111.922 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 88.6 mttt -70.46 -19.62 62.95 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 118.451 0.569 . . . . 0.0 111.654 168.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.15 -68.55 0.38 Allowed 'General case' 0 N--CA 1.441 -0.886 0 C-N-CA 124.091 0.956 . . . . 0.0 111.266 153.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -66.75 -39.79 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.755 0 O-C-N 120.61 -1.306 . . . . 0.0 113.059 -160.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.17 -27.59 67.41 Favored 'General case' 0 N--CA 1.445 -0.681 0 N-CA-C 115.914 1.82 . . . . 0.0 115.914 174.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -80.92 -33.59 33.99 Favored 'General case' 0 N--CA 1.446 -0.666 0 O-C-N 121.12 -0.987 . . . . 0.0 112.121 174.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 59.8 mt -67.13 -43.18 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 C-N-CA 126.016 1.726 . . . . 0.0 108.823 172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.466 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 54.2 mt -49.69 -48.34 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 C-N-CA 126.631 1.972 . . . . 0.0 115.846 168.645 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -59.43 -30.45 68.49 Favored 'General case' 0 N--CA 1.441 -0.887 0 C-N-CA 124.545 1.138 . . . . 0.0 113.793 174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -79.67 -50.78 10.12 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 124.654 1.182 . . . . 0.0 111.123 171.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.9 -35.74 80.07 Favored Glycine 0 C--O 1.21 -1.398 0 CA-C-N 120.32 1.418 . . . . 0.0 116.191 -173.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 91.58 23.03 29.65 Favored Glycine 0 C--O 1.202 -1.859 0 C-N-CA 125.379 1.466 . . . . 0.0 115.261 -179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.528 ' CB ' HG21 ' A' ' 9' ' ' ILE . 16.7 m-85 -60.39 167.66 2.43 Favored 'General case' 0 C--O 1.208 -1.127 0 N-CA-C 115.872 1.805 . . . . 0.0 115.872 179.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.316 -0.87 0 O-C-N 118.256 -2.777 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.733 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -51.03 -41.33 59.77 Favored 'General case' 0 N--CA 1.425 -1.678 0 C-N-CA 125.005 1.322 . . . . 0.0 113.988 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -73.81 -18.18 60.99 Favored 'General case' 0 N--CA 1.44 -0.956 0 C-N-CA 125.335 1.454 . . . . 0.0 114.864 176.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -99.17 -4.61 31.75 Favored 'General case' 0 N--CA 1.444 -0.73 0 C-N-CA 126.536 1.934 . . . . 0.0 113.447 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -64.81 -49.44 70.65 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 115.738 1.755 . . . . 0.0 115.738 -169.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.56 -41.78 77.46 Favored 'General case' 0 C--O 1.197 -1.688 0 N-CA-C 113.246 0.832 . . . . 0.0 113.246 177.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.63 -27.41 69.21 Favored 'General case' 0 C--O 1.207 -1.177 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' B' ' 34' ' ' ILE . . . -82.85 -55.21 4.54 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 121.51 1.959 . . . . 0.0 112.863 170.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.513 HG21 ' CB ' ' D' ' 87' ' ' PHE . 10.2 mm -71.81 -40.54 69.41 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.723 0 C-N-CA 123.991 0.916 . . . . 0.0 109.922 -164.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -70.9 -22.35 62.27 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 113.425 0.898 . . . . 0.0 113.425 -175.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.96 -69.74 0.3 Allowed 'General case' 0 N--CA 1.438 -1.07 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 157.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -36.55 77.19 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 O-C-N 121.373 -0.83 . . . . 0.0 113.095 -161.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -70.73 -27.27 63.83 Favored 'General case' 0 N--CA 1.443 -0.821 0 CA-C-N 120.464 1.484 . . . . 0.0 114.29 176.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.06 -33.06 22.55 Favored 'General case' 0 N--CA 1.445 -0.69 0 C-N-CA 124.516 1.126 . . . . 0.0 111.832 178.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 61.3 mt -66.32 -42.34 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 C-N-CA 126.167 1.787 . . . . 0.0 109.144 168.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.505 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 16.7 mt -55.61 -47.18 79.21 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.574 0 CA-C-N 121.076 1.762 . . . . 0.0 113.396 169.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -58.94 -28.62 66.44 Favored 'General case' 0 C--O 1.213 -0.82 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 173.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.47 -49.09 11.02 Favored 'General case' 0 C--O 1.209 -1.043 0 C-N-CA 126.206 1.802 . . . . 0.0 112.669 171.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -67.71 -39.4 90.25 Favored Glycine 0 C--O 1.205 -1.675 0 CA-C-N 120.338 1.426 . . . . 0.0 114.857 -176.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 91.65 29.63 11.74 Favored Glycine 0 N--CA 1.438 -1.18 0 C-N-CA 124.547 1.07 . . . . 0.0 114.466 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CD1' ' HA ' ' A' ' 16' ' ' ILE . 32.7 m-85 -62.46 174.56 0.94 Allowed 'General case' 0 C--O 1.171 -3.041 0 N-CA-C 114.606 1.336 . . . . 0.0 114.606 174.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.025 0 O-C-N 118.527 -2.608 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.821 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.84 -9.74 3.21 Favored 'General case' 0 N--CA 1.439 -1.019 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -45.54 -32.8 2.42 Favored 'General case' 0 N--CA 1.438 -1.072 0 O-C-N 120.278 -1.514 . . . . 0.0 114.645 159.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.84 -0.49 51.37 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 129.074 2.949 . . . . 0.0 114.705 178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.28 -60.87 3.07 Favored 'General case' 0 N--CA 1.443 -0.82 0 N-CA-C 114.652 1.353 . . . . 0.0 114.652 -166.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.17 -46.41 54.22 Favored 'General case' 0 N--CA 1.436 -1.127 0 CA-C-N 118.983 0.81 . . . . 0.0 111.78 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.23 -37.75 84.19 Favored 'General case' 0 N--CA 1.445 -0.72 0 N-CA-C 114.958 1.466 . . . . 0.0 114.958 177.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -75.66 -46.02 33.81 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 120.86 -1.15 . . . . 0.0 112.605 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 14.1 mm -68.27 -37.47 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.805 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.663 -172.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -60.24 -40.46 90.32 Favored 'General case' 0 N--CA 1.443 -0.805 0 O-C-N 121.832 -0.543 . . . . 0.0 112.02 173.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.61 -2.72 9.64 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 116.108 1.892 . . . . 0.0 116.108 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.497 HG13 ' HB1' ' A' ' 8' ' ' ALA 0.284 20.8 tt -117.86 -50.4 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 O-C-N 120.466 -1.396 . . . . 0.0 112.295 165.714 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -27.96 69.52 Favored 'General case' 0 N--CA 1.441 -0.923 0 CA-C-N 121.977 2.171 . . . . 0.0 114.61 -169.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.4 -21.95 38.62 Favored 'General case' 0 C--O 1.211 -0.933 0 CA-C-O 122.442 1.115 . . . . 0.0 113.718 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.29 -39.55 14.7 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 C-N-CA 126.826 2.05 . . . . 0.0 108.87 174.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.402 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 28.1 mt -53.37 -48.67 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 126.23 1.812 . . . . 0.0 112.031 170.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 22.4 tptt -51.95 -28.77 17.76 Favored 'General case' 0 N--CA 1.442 -0.859 0 C-N-CA 126.373 1.869 . . . . 0.0 114.623 173.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.52 -48.36 7.99 Favored 'General case' 0 N--CA 1.433 -1.311 0 C-N-CA 124.292 1.037 . . . . 0.0 113.583 169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.61 -41.94 97.57 Favored Glycine 0 N--CA 1.433 -1.538 0 C-N-CA 126.399 1.952 . . . . 0.0 114.891 -174.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 69.98 52.98 16.42 Favored Glycine 0 C--O 1.21 -1.36 0 CA-C-N 121.251 2.526 . . . . 0.0 112.802 -174.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.454 ' CB ' HG21 ' C' ' 53' ' ' ILE . 67.6 m-85 -71.3 -56.91 5.07 Favored 'General case' 0 C--O 1.178 -2.692 0 C-N-CA 127.608 2.363 . . . . 0.0 113.283 -173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.521 -1.362 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.54 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.08 1.25 2.89 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -46.78 -35.78 6.58 Favored 'General case' 0 C--O 1.212 -0.903 0 C-N-CA 125.255 1.422 . . . . 0.0 113.502 157.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -86.75 -4.55 59.19 Favored 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 127.191 2.197 . . . . 0.0 114.313 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.81 -49.95 59.49 Favored 'General case' 0 C--O 1.214 -0.809 0 N-CA-C 114.614 1.339 . . . . 0.0 114.614 -164.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -57.68 -36.58 72.13 Favored 'General case' 1 C--O 1.149 -4.194 0 CA-C-N 120.683 1.583 . . . . 0.0 112.41 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.69 75.39 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 118.904 -2.373 . . . . 0.0 115.398 170.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.0 -41.09 64.63 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-O 123.577 1.655 . . . . 0.0 112.099 -176.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.454 HG21 ' CB ' ' B' ' 43' ' ' PHE . 6.7 mm -80.14 -36.8 16.95 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 CA-C-N 113.032 -1.894 . . . . 0.0 110.316 -170.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -65.91 -23.71 66.69 Favored 'General case' 0 C--O 1.206 -1.215 0 N-CA-C 115.176 1.547 . . . . 0.0 115.176 176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.79 -67.74 0.4 Allowed 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 119.545 1.066 . . . . 0.0 110.846 156.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . 0.482 HD11 ' HB1' ' D' ' 74' ' ' ALA . 0.0 OUTLIER -64.66 -40.79 90.27 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-O 117.859 -1.067 . . . . 0.0 112.752 -163.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.46 -24.76 65.65 Favored 'General case' 0 C--O 1.213 -0.853 0 CA-C-N 121.867 2.122 . . . . 0.0 114.466 176.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -80.63 -36.4 32.67 Favored 'General case' 0 C--O 1.213 -0.846 0 C-N-CA 125.798 1.639 . . . . 0.0 111.728 174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 51.9 mt -69.56 -40.69 79.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.682 0 C-N-CA 126.298 1.839 . . . . 0.0 109.016 173.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.42 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 41.1 mt -54.91 -51.18 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.592 0 C-N-CA 127.004 2.122 . . . . 0.0 113.836 168.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 11.9 tppt? -56.36 -26.87 54.21 Favored 'General case' 0 N--CA 1.446 -0.66 0 C-N-CA 125.402 1.481 . . . . 0.0 112.585 175.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -88.89 -39.57 13.7 Favored 'General case' 0 N--CA 1.439 -0.98 0 C-N-CA 125.657 1.583 . . . . 0.0 113.807 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -73.01 -52.02 9.55 Favored Glycine 0 C--O 1.204 -1.738 0 O-C-N 120.474 -1.391 . . . . 0.0 115.374 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.12 38.99 6.2 Favored Glycine 0 C--O 1.177 -3.409 0 C-N-CA 124.285 0.945 . . . . 0.0 113.884 -173.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.42 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 71.8 m-85 -57.1 -51.71 68.2 Favored 'General case' 0 C--O 1.186 -2.267 0 C-N-CA 128.952 2.901 . . . . 0.0 115.841 -174.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.151 0 O-C-N 121.314 -0.866 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.211 -0.936 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.7 4.23 0.43 Allowed 'General case' 0 N--CA 1.438 -1.035 0 C-N-CA 126.059 1.744 . . . . 0.0 114.478 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -47.51 -39.06 15.2 Favored 'General case' 0 N--CA 1.434 -1.246 0 C-N-CA 124.86 1.264 . . . . 0.0 113.608 160.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.96 -0.72 28.79 Favored 'General case' 0 N--CA 1.442 -0.862 0 C-N-CA 129.569 3.148 . . . . 0.0 115.472 175.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.32 7.1 20.47 Favored 'General case' 0 C--O 1.202 -1.443 0 O-C-N 118.401 -2.687 . . . . 0.0 114.886 -169.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.51 -58.04 2.73 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 121.351 1.887 . . . . 0.0 109.956 149.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.3 -35.71 70.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 C-N-CA 124.988 1.315 . . . . 0.0 114.03 -171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . 0.482 ' HB1' HD11 ' C' ' 56' ' ' ILE . . . -74.84 -42.27 58.29 Favored 'General case' 0 N--CA 1.427 -1.587 0 O-C-N 120.409 -1.432 . . . . 0.0 112.218 179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 21' ' ' PHE . 14.9 mm -70.26 -42.49 78.86 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.758 0 C-N-CA 124.761 1.224 . . . . 0.0 110.674 -178.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -72.47 -23.59 61.07 Favored 'General case' 0 C--O 1.213 -0.83 0 CA-C-O 117.781 -1.104 . . . . 0.0 112.742 -175.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.56 -68.4 0.36 Allowed 'General case' 0 N--CA 1.438 -1.043 0 CA-C-N 119.643 1.111 . . . . 0.0 109.922 156.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -70.56 -39.27 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.658 0 O-C-N 120.021 -1.674 . . . . 0.0 112.842 -158.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.37 -32.41 73.79 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 120.155 1.343 . . . . 0.0 113.599 177.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.62 -27.15 45.43 Favored 'General case' 0 N--CA 1.446 -0.665 0 C-N-CA 126.839 2.055 . . . . 0.0 113.019 177.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 67.3 mt -76.57 -43.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.832 0 C-N-CA 125.655 1.582 . . . . 0.0 110.124 170.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . . . . . . . . . 37.8 mt -55.69 -47.41 79.16 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 114.965 1.468 . . . . 0.0 114.965 171.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.8 tppt? -48.99 -29.01 4.32 Favored 'General case' 0 N--CA 1.442 -0.855 0 C-N-CA 125.441 1.496 . . . . 0.0 114.169 168.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -90.73 -44.11 9.68 Favored 'General case' 0 C--O 1.201 -1.456 0 C-N-CA 126.675 1.99 . . . . 0.0 113.603 173.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.19 -40.39 82.14 Favored Glycine 0 N--CA 1.436 -1.36 0 C-N-CA 125.319 1.438 . . . . 0.0 114.988 -174.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 81.15 35.25 24.41 Favored Glycine 0 N--CA 1.436 -1.307 0 CA-C-N 119.852 1.826 . . . . 0.0 115.25 -175.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.513 ' CB ' HG21 ' A' ' 9' ' ' ILE . 86.0 m-85 -62.6 -55.07 30.53 Favored 'General case' 0 C--O 1.2 -1.522 0 C-N-CA 126.536 1.934 . . . . 0.0 115.177 -173.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.307 -1.275 0 O-C-N 120.158 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.286 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 48.65 7.63 0.01 OUTLIER 'General case' 0 N--CA 1.442 -0.827 0 C-N-CA 126.508 1.923 . . . . 0.0 115.126 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 28.2 mtpp -60.33 -25.84 66.1 Favored 'General case' 0 N--CA 1.444 -0.765 0 O-C-N 119.568 -1.958 . . . . 0.0 112.953 168.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -69.53 -21.99 63.61 Favored 'General case' 0 N--CA 1.443 -0.811 0 C-N-CA 126.781 2.032 . . . . 0.0 114.259 170.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.34 -51.74 34.05 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 -154.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.78 -25.96 66.9 Favored 'General case' 1 C--O 1.133 -5.058 0 O-C-N 121.172 -0.955 . . . . 0.0 112.861 -179.295 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -80.58 -37.51 31.14 Favored 'General case' 0 C--N 1.293 -1.852 0 CA-C-N 122.641 2.473 . . . . 0.0 113.299 169.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -78.9 -41.85 28.66 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.383 1.563 . . . . 0.0 111.388 -172.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.487 HG21 ' HB2' ' D' ' 87' ' ' PHE . 8.0 mm -74.77 -40.44 46.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.427 -1.261 . . . . 0.0 110.987 -179.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.6 mtpt -71.16 -26.17 62.87 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -177.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.62 -61.41 2.1 Favored 'General case' 0 N--CA 1.444 -0.754 0 C-N-CA 123.694 0.797 . . . . 0.0 111.291 161.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.265 0.4 OUTLIER -61.68 -41.11 89.16 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.683 0 O-C-N 120.858 -1.151 . . . . 0.0 111.603 -171.116 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.81 -33.23 75.2 Favored 'General case' 0 N--CA 1.444 -0.746 0 CA-C-N 120.37 1.441 . . . . 0.0 113.567 176.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.41 -35.14 54.5 Favored 'General case' 0 N--CA 1.443 -0.798 0 O-C-N 119.292 -2.13 . . . . 0.0 111.324 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 60.4 mt -68.18 -38.77 80.18 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 C-N-CA 126.7 2.0 . . . . 0.0 108.929 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.464 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 68.0 mt -55.42 -50.94 62.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 126.397 1.879 . . . . 0.0 113.402 166.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -57.76 -29.04 64.49 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 124.174 0.989 . . . . 0.0 111.66 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -80.82 -47.04 14.4 Favored 'General case' 0 C--O 1.211 -0.965 0 O-C-N 120.082 -1.636 . . . . 0.0 113.404 169.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -88.08 -16.61 59.09 Favored Glycine 0 C--O 1.185 -2.928 0 CA-C-O 117.827 -1.541 . . . . 0.0 116.73 -162.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.39 62.27 5.0 Favored Glycine 0 C--O 1.199 -2.035 0 CA-C-N 122.077 2.939 . . . . 0.0 112.865 174.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.504 ' CB ' HG21 ' D' ' 75' ' ' ILE . 11.2 m-85 -76.59 -35.09 58.35 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 115.833 1.79 . . . . 0.0 115.833 -168.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.613 0 O-C-N 121.755 -0.591 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.224 -0.264 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . 52.94 12.73 0.3 Allowed 'General case' 0 N--CA 1.443 -0.821 0 C-N-CA 126.686 1.994 . . . . 0.0 115.874 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 60.4 mtpt -67.38 -25.84 66.16 Favored 'General case' 0 C--O 1.213 -0.818 0 C-N-CA 125.735 1.614 . . . . 0.0 111.676 170.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.26 -12.76 60.64 Favored 'General case' 0 C--O 1.208 -1.099 0 C-N-CA 126.533 1.933 . . . . 0.0 114.38 170.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -71.65 -45.54 61.7 Favored 'General case' 0 N--CA 1.445 -0.722 0 N-CA-C 115.88 1.807 . . . . 0.0 115.88 -163.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.72 -49.74 76.47 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 121.018 1.736 . . . . 0.0 112.333 176.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.7 -24.77 67.91 Favored 'General case' 0 C--O 1.213 -0.866 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.88 -48.15 8.03 Favored 'General case' 0 N--CA 1.444 -0.773 0 CA-C-N 120.545 1.52 . . . . 0.0 111.97 179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.51 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.0 mm -75.8 -36.58 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.807 0 C-N-CA 125.097 1.359 . . . . 0.0 110.757 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -67.06 -28.62 68.35 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 118.028 -0.986 . . . . 0.0 113.111 179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.18 -56.59 8.2 Favored 'General case' 0 N--CA 1.443 -0.823 0 CA-C-N 119.111 0.868 . . . . 0.0 109.76 163.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -39.03 83.98 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.619 0 CA-C-N 120.113 1.324 . . . . 0.0 111.682 -168.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.36 -29.61 69.19 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 120.146 1.339 . . . . 0.0 113.898 175.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.61 -37.72 62.76 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-N 119.508 1.049 . . . . 0.0 111.795 172.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.68 -46.88 93.47 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 C-N-CA 126.736 2.014 . . . . 0.0 109.818 173.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.501 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 66.4 mt -52.36 -50.93 36.13 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.648 0 O-C-N 118.168 -2.833 . . . . 0.0 113.343 168.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.65 -26.15 61.23 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 124.641 1.176 . . . . 0.0 114.163 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -87.96 -42.16 12.65 Favored 'General case' 0 C--O 1.176 -2.811 0 C-N-CA 125.593 1.557 . . . . 0.0 114.107 168.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -94.94 -9.9 58.0 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 127.381 2.42 . . . . 0.0 116.764 -164.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 62.97 57.87 14.16 Favored Glycine 0 C--O 1.21 -1.374 0 CA-C-N 120.869 2.335 . . . . 0.0 113.527 167.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.501 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 10.3 m-85 -69.46 -51.59 34.67 Favored 'General case' 0 C--O 1.209 -1.074 0 O-C-N 120.798 -1.413 . . . . 0.0 113.19 -166.376 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 119.22 -2.175 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.219 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.93 3.28 0.58 Allowed 'General case' 0 N--CA 1.437 -1.078 0 N-CA-C 114.368 1.248 . . . . 0.0 114.368 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -58.6 -34.31 70.97 Favored 'General case' 0 C--O 1.194 -1.83 0 C-N-CA 125.699 1.6 . . . . 0.0 113.408 162.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.05 -20.62 66.06 Favored 'General case' 0 N--CA 1.438 -1.041 0 C-N-CA 127.08 2.152 . . . . 0.0 113.688 170.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . 0.404 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . . . -79.47 1.28 26.18 Favored 'General case' 0 C--O 1.204 -1.301 0 N-CA-C 115.413 1.635 . . . . 0.0 115.413 -176.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -99.11 -59.18 1.78 Allowed 'General case' 0 N--CA 1.44 -0.97 0 C-N-CA 124.081 0.952 . . . . 0.0 111.426 148.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.76 -37.06 75.42 Favored 'General case' 0 C--O 1.208 -1.089 0 N-CA-C 115.619 1.711 . . . . 0.0 115.619 -168.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -77.48 -41.23 40.25 Favored 'General case' 0 N--CA 1.446 -0.668 0 C-N-CA 125.744 1.618 . . . . 0.0 109.884 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.462 HG21 ' CB ' ' B' ' 43' ' ' PHE . 8.8 mm -63.06 -44.96 99.86 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 C-N-CA 123.043 0.537 . . . . 0.0 109.817 176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 60.2 mtpt -68.32 -26.92 65.86 Favored 'General case' 0 C--O 1.213 -0.862 0 C-N-CA 125.323 1.449 . . . . 0.0 113.897 -174.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.09 -57.38 4.58 Favored 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 125.12 1.368 . . . . 0.0 110.885 161.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.262 1.7 mp -65.97 -35.01 74.06 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 O-C-N 120.201 -1.562 . . . . 0.0 112.84 -168.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.34 -29.56 69.15 Favored 'General case' 0 N--CA 1.445 -0.691 0 O-C-N 119.759 -1.838 . . . . 0.0 114.092 173.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.87 -33.9 45.42 Favored 'General case' 0 N--CA 1.443 -0.801 0 C-N-CA 126.244 1.818 . . . . 0.0 112.01 174.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.9 mt -66.82 -45.99 86.42 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.91 0 C-N-CA 127.021 2.128 . . . . 0.0 108.112 171.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 59.9 mt -51.21 -48.12 32.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 O-C-N 118.505 -2.622 . . . . 0.0 114.996 167.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -58.12 -32.96 68.62 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.022 1.329 . . . . 0.0 112.391 179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -82.74 -41.24 19.49 Favored 'General case' 0 C--O 1.192 -1.942 0 C-N-CA 126.284 1.834 . . . . 0.0 113.289 169.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -93.99 -9.35 59.65 Favored Glycine 0 N--CA 1.44 -1.082 0 CA-C-O 117.252 -1.86 . . . . 0.0 116.816 -162.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 64.07 50.4 60.73 Favored Glycine 0 C--O 1.2 -2.0 0 CA-C-N 120.93 2.365 . . . . 0.0 114.147 164.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.51 ' CB ' HG21 ' B' ' 31' ' ' ILE . 17.0 m-85 -69.09 -40.19 78.56 Favored 'General case' 0 C--O 1.197 -1.697 0 C-N-CA 126.85 2.06 . . . . 0.0 113.619 -168.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.901 0 O-C-N 118.369 -2.707 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.726 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 52.01 10.23 0.11 Allowed 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 127.631 2.372 . . . . 0.0 115.917 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 10.2 mmpt? -65.83 -25.96 67.45 Favored 'General case' 0 C--O 1.208 -1.086 0 C-N-CA 127.091 2.156 . . . . 0.0 112.221 170.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.8 -16.58 62.18 Favored 'General case' 0 C--O 1.209 -1.06 0 C-N-CA 126.074 1.75 . . . . 0.0 113.602 172.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . 0.403 ' HA ' ' CE2' ' C' ' 65' ' ' PHE . . . -76.04 -43.91 41.65 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-O 117.622 -1.18 . . . . 0.0 114.145 -156.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.91 -52.45 60.53 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 120.421 1.464 . . . . 0.0 112.239 176.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.54 -28.96 70.3 Favored 'General case' 0 C--O 1.212 -0.894 0 O-C-N 119.814 -1.804 . . . . 0.0 114.984 176.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -77.51 -48.77 16.22 Favored 'General case' 0 N--CA 1.444 -0.766 0 C-N-CA 124.174 0.99 . . . . 0.0 112.234 179.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.504 HG21 ' CB ' ' A' ' 21' ' ' PHE . 5.0 mm -80.22 -34.38 14.86 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.707 0 C-N-CA 125.714 1.606 . . . . 0.0 110.879 -169.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -73.1 -23.01 60.47 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.27 -59.42 3.02 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-N 118.074 0.397 . . . . 0.0 110.6 159.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -65.9 -38.49 82.26 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 117.693 -1.146 . . . . 0.0 111.713 -165.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.34 -26.72 65.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 120.596 1.544 . . . . 0.0 114.281 175.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.73 -31.91 41.15 Favored 'General case' 0 N--CA 1.445 -0.721 0 O-C-N 120.588 -1.32 . . . . 0.0 111.402 173.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 65.9 mt -71.72 -42.18 70.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.691 0 C-N-CA 125.055 1.342 . . . . 0.0 109.054 174.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.401 ' HA ' ' CE1' ' D' ' 87' ' ' PHE . 77.7 mt -54.36 -43.71 63.49 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.772 0 C-N-CA 126.128 1.771 . . . . 0.0 114.181 168.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.6 tppt? -59.55 -30.53 68.69 Favored 'General case' 0 N--CA 1.444 -0.734 0 N-CA-C 114.174 1.175 . . . . 0.0 114.174 175.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -80.09 -44.2 20.41 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.707 1.603 . . . . 0.0 112.624 168.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -82.2 -39.15 11.63 Favored Glycine 0 C--O 1.21 -1.361 0 CA-C-O 117.373 -1.793 . . . . 0.0 116.638 -166.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.21 61.22 4.66 Favored Glycine 0 C--O 1.192 -2.508 0 CA-C-N 119.732 1.766 . . . . 0.0 111.434 -174.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.487 ' HB2' HG21 ' A' ' 9' ' ' ILE . 6.2 m-85 -66.51 -36.11 81.91 Favored 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 126.725 2.01 . . . . 0.0 113.886 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.321 -0.644 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.453 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.93 5.79 0.21 Allowed 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 124.536 1.135 . . . . 0.0 112.628 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 27.8 mtmt -57.01 -27.68 61.81 Favored 'General case' 0 N--CA 1.44 -0.938 0 C-N-CA 125.129 1.372 . . . . 0.0 113.28 163.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.06 -2.9 58.76 Favored 'General case' 0 N--CA 1.441 -0.888 0 C-N-CA 125.79 1.636 . . . . 0.0 115.179 175.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.516 ' O ' HG12 ' A' ' 9' ' ' ILE . . . -62.43 -44.75 95.67 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-O 116.965 -1.493 . . . . 0.0 113.645 -164.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -52.39 -47.09 66.43 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-N 119.974 1.261 . . . . 0.0 112.41 179.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.43 -30.45 66.9 Favored 'General case' 0 C--O 1.21 -1.004 0 C-N-CA 126.15 1.78 . . . . 0.0 114.828 174.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.11 -58.37 3.32 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 120.675 1.579 . . . . 0.0 109.193 172.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' D' ' 87' ' ' PHE . 16.6 mm -66.64 -39.79 84.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.848 0 C-N-CA 123.54 0.736 . . . . 0.0 111.77 -164.071 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -73.87 -24.12 59.69 Favored 'General case' 0 N--CA 1.446 -0.646 0 C-N-CA 124.149 0.979 . . . . 0.0 111.823 -171.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.45 -61.53 1.74 Allowed 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.809 1.244 . . . . 0.0 110.687 161.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.476 HG22 ' HA ' ' A' ' 9' ' ' ILE . 0.0 OUTLIER -60.73 -51.77 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.575 0 CA-C-O 117.288 -1.339 . . . . 0.0 110.409 -166.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -75.48 17.56 0.27 Allowed 'General case' 0 C--O 1.205 -1.288 0 CA-C-N 121.175 1.807 . . . . 0.0 114.734 -179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.39 -37.36 4.05 Favored 'General case' 0 C--N 1.321 -0.657 0 C-N-CA 127.555 2.342 . . . . 0.0 111.827 160.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.2 mt -65.32 -37.25 79.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.678 0 C-N-CA 126.272 1.829 . . . . 0.0 111.187 173.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.437 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -46.12 -57.84 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.623 0 C-N-CA 128.964 2.906 . . . . 0.0 110.975 168.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -69.5 -40.59 76.9 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 128.611 2.764 . . . . 0.0 112.468 -170.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.89 -37.39 84.31 Favored 'General case' 0 C--O 1.203 -1.347 0 C-N-CA 126.987 2.115 . . . . 0.0 111.978 171.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.98 -33.23 46.42 Favored Glycine 1 C--O 1.164 -4.221 0 C-N-CA 124.672 1.129 . . . . 0.0 114.161 179.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.62 11.37 64.1 Favored Glycine 0 C--O 1.185 -2.949 0 C-N-CA 126.275 1.893 . . . . 0.0 114.285 -178.047 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.437 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.366 0.0 OUTLIER -99.43 -5.69 29.01 Favored 'General case' 0 N--CA 1.428 -1.53 0 C-N-CA 126.58 1.952 . . . . 0.0 114.893 -169.334 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.093 0 O-C-N 119.721 -1.862 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.231 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.52 159.48 1.48 Allowed 'General case' 0 N--CA 1.432 -1.334 0 C-N-CA 130.247 3.419 . . . . 0.0 114.805 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 56.7 mtmt -56.09 -10.19 0.78 Allowed 'General case' 0 C--O 1.207 -1.144 0 N-CA-C 116.499 2.037 . . . . 0.0 116.499 176.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -45.75 -19.92 0.07 Allowed 'General case' 0 N--CA 1.441 -0.88 0 C-N-CA 127.099 2.16 . . . . 0.0 115.153 154.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -53.38 -48.97 68.17 Favored 'General case' 0 N--CA 1.441 -0.875 0 C-N-CA 125.746 1.618 . . . . 0.0 112.521 174.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.58 -7.17 9.38 Favored 'General case' 0 C--O 1.191 -2.004 0 O-C-N 120.279 -1.513 . . . . 0.0 114.922 178.077 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.6 -46.89 6.76 Favored 'General case' 0 N--CA 1.442 -0.837 0 C-N-CA 125.839 1.656 . . . . 0.0 112.469 162.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.0 -47.07 54.69 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 119.202 -2.186 . . . . 0.0 110.647 -168.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 43.6 mm -62.19 -44.71 99.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.831 1.252 . . . . 0.0 109.62 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -61.65 -46.25 90.59 Favored 'General case' 0 C--O 1.215 -0.733 0 C-N-CA 124.277 1.031 . . . . 0.0 111.58 176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -66.07 -6.85 14.4 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 115.664 1.728 . . . . 0.0 115.664 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.271 0.3 OUTLIER -117.01 -54.51 4.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.764 0 C-N-CA 126.856 2.063 . . . . 0.0 113.008 173.317 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.95 -31.23 67.75 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 121.785 2.084 . . . . 0.0 112.173 -170.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.79 -30.29 45.43 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.961 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.91 -35.86 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.607 0 C-N-CA 124.027 0.931 . . . . 0.0 109.465 175.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' B' ' 43' ' ' PHE . 60.9 mt -62.7 -41.47 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.849 0 C-N-CA 126.448 1.899 . . . . 0.0 114.496 172.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 10.6 tppt? -57.26 -31.13 65.27 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 124.94 1.296 . . . . 0.0 112.304 172.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.63 -45.15 11.98 Favored 'General case' 0 N--CA 1.44 -0.941 0 C-N-CA 124.492 1.117 . . . . 0.0 113.427 172.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.86 -43.32 66.79 Favored Glycine 0 C--O 1.208 -1.469 0 C-N-CA 124.413 1.006 . . . . 0.0 114.203 -173.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 73.59 41.8 42.39 Favored Glycine 0 C--O 1.196 -2.276 0 C-N-CA 125.015 1.293 . . . . 0.0 115.336 -172.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.402 ' CD1' HG12 ' B' ' 38' ' ' ILE . 36.4 m-85 -55.01 -53.67 52.85 Favored 'General case' 0 N--CA 1.437 -1.084 0 C-N-CA 126.76 2.024 . . . . 0.0 116.369 -167.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.784 0 O-C-N 120.867 -1.145 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.206 -1.194 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.97 -1.71 0.73 Allowed 'General case' 0 N--CA 1.438 -1.062 0 C-N-CA 125.703 1.601 . . . . 0.0 114.825 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -48.48 -37.78 18.35 Favored 'General case' 0 C--O 1.211 -0.96 0 O-C-N 119.907 -1.745 . . . . 0.0 112.834 158.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -82.27 3.98 25.45 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 128.391 2.676 . . . . 0.0 115.194 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . 0.487 ' O ' HG12 ' C' ' 53' ' ' ILE . . . -64.79 -46.55 81.59 Favored 'General case' 0 N--CA 1.438 -1.03 0 N-CA-C 114.194 1.183 . . . . 0.0 114.194 -164.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -52.02 -38.96 58.69 Favored 'General case' 0 C--O 1.177 -2.728 0 CA-C-N 119.324 0.965 . . . . 0.0 112.681 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.99 -38.61 91.55 Favored 'General case' 0 C--N 1.313 -1.01 0 O-C-N 120.586 -1.321 . . . . 0.0 113.77 174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.96 -49.36 24.9 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 119.865 1.211 . . . . 0.0 112.057 178.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.487 HG12 ' O ' ' C' ' 49' ' ' ALA . 36.2 mm -63.28 -44.55 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.022 0 O-C-N 123.999 0.812 . . . . 0.0 110.958 -176.05 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -74.32 -20.69 60.02 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 114.208 1.188 . . . . 0.0 114.208 -174.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.23 -67.02 0.49 Allowed 'General case' 0 N--CA 1.446 -0.651 0 O-C-N 120.937 -1.102 . . . . 0.0 110.846 155.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . 0.293 0.4 OUTLIER -61.31 -51.35 74.02 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 O-C-N 121.333 -0.854 . . . . 0.0 112.58 -166.025 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.17 21.07 0.61 Allowed 'General case' 0 N--CA 1.44 -0.949 0 O-C-N 119.493 -2.004 . . . . 0.0 114.024 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -114.92 -44.86 3.0 Favored 'General case' 0 N--CA 1.44 -0.951 0 C-N-CA 126.808 2.043 . . . . 0.0 110.609 159.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 55.3 mt -57.92 -36.99 58.25 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.777 0 C-N-CA 125.513 1.525 . . . . 0.0 110.569 172.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.479 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 3.0 mm -46.61 -61.36 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 C-N-CA 126.306 1.842 . . . . 0.0 112.16 169.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -66.32 -37.03 84.44 Favored 'General case' 0 C--O 1.206 -1.199 0 C-N-CA 128.475 2.71 . . . . 0.0 112.895 -169.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.26 -46.13 71.28 Favored 'General case' 0 C--O 1.212 -0.884 0 C-N-CA 126.227 1.811 . . . . 0.0 111.011 169.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -66.5 -45.29 86.44 Favored Glycine 0 C--O 1.207 -1.536 0 C-N-CA 125.393 1.473 . . . . 0.0 115.503 -175.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.21 7.83 30.1 Favored Glycine 0 C--O 1.202 -1.876 0 C-N-CA 126.187 1.851 . . . . 0.0 115.637 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.479 ' CE1' ' HA ' ' C' ' 60' ' ' ILE . 2.8 m-85 -63.2 -51.85 64.67 Favored 'General case' 0 C--O 1.193 -1.908 0 CA-C-N 119.482 1.641 . . . . 0.0 113.773 -173.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.309 -1.161 0 O-C-N 118.784 -2.448 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . 0.423 ' H3 ' ' HB3' ' D' ' 70' ' ' ALA . . . . . . . . 0 C--O 1.213 -0.863 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -46.45 -43.77 16.83 Favored 'General case' 0 C--O 1.189 -2.112 0 C-N-CA 126.734 2.014 . . . . 0.0 112.141 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -92.33 -32.96 14.79 Favored 'General case' 0 C--N 1.3 -1.572 0 C-N-CA 126.647 1.979 . . . . 0.0 113.85 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . 0.423 ' HB3' ' H3 ' ' D' ' 67' ' ' ACE . . . -63.19 -19.43 64.5 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 125.972 1.709 . . . . 0.0 112.262 175.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -72.92 9.08 1.26 Allowed 'General case' 0 N--CA 1.443 -0.799 0 C-N-CA 125.919 1.688 . . . . 0.0 114.76 174.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.85 -56.26 2.72 Favored 'General case' 0 N--CA 1.444 -0.746 0 O-C-N 120.259 -1.526 . . . . 0.0 110.644 149.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.78 -38.24 69.63 Favored 'General case' 0 C--O 1.208 -1.095 0 N-CA-C 116.328 1.973 . . . . 0.0 116.328 -173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -69.49 -41.43 76.12 Favored 'General case' 0 N--CA 1.443 -0.816 0 CA-C-O 122.783 1.278 . . . . 0.0 111.007 177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 10.2 mm -71.7 -43.57 70.2 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.737 0 C-N-CA 124.677 1.191 . . . . 0.0 110.521 -175.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -81.0 -16.48 53.28 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 -170.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.33 -72.38 0.16 Allowed 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 122.067 0.937 . . . . 0.0 111.304 149.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.44 -37.72 75.69 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.656 0 O-C-N 119.912 -1.743 . . . . 0.0 112.642 -155.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.99 -27.65 64.87 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 121.053 1.751 . . . . 0.0 113.907 176.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -79.21 -35.96 40.85 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 124.91 1.284 . . . . 0.0 111.388 176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 62.1 mt -68.02 -41.3 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.593 0 C-N-CA 127.054 2.142 . . . . 0.0 109.302 174.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.485 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 40.9 mt -52.69 -52.0 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.746 0 C-N-CA 127.069 2.148 . . . . 0.0 114.205 166.381 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 14.8 tppt? -59.31 -26.29 64.87 Favored 'General case' 0 C--O 1.209 -1.078 0 C-N-CA 125.331 1.452 . . . . 0.0 113.518 175.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -84.0 -41.67 17.03 Favored 'General case' 0 N--CA 1.438 -1.066 0 C-N-CA 124.6 1.16 . . . . 0.0 112.979 172.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.96 -44.22 31.2 Favored Glycine 0 C--O 1.196 -2.251 0 C-N-CA 124.638 1.113 . . . . 0.0 114.196 -175.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 94.64 24.92 16.69 Favored Glycine 0 C--O 1.209 -1.441 0 C-N-CA 125.032 1.301 . . . . 0.0 114.338 -176.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.541 ' HB3' HG21 ' A' ' 9' ' ' ILE . 14.4 m-85 -63.56 166.45 6.76 Favored 'General case' 0 N--CA 1.434 -1.226 0 CA-C-O 123.539 1.637 . . . . 0.0 113.109 174.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.317 -0.842 0 O-C-N 118.543 -2.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.156 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.73 -0.72 0.31 Allowed 'General case' 0 N--CA 1.422 -1.834 0 N-CA-C 114.266 1.21 . . . . 0.0 114.266 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -49.32 -32.1 10.5 Favored 'General case' 0 N--CA 1.43 -1.431 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 163.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.86 -2.72 41.12 Favored 'General case' 0 N--CA 1.44 -0.93 0 C-N-CA 126.667 1.987 . . . . 0.0 115.91 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -89.53 20.04 4.19 Favored 'General case' 0 C--O 1.216 -0.708 0 O-C-N 118.801 -2.437 . . . . 0.0 114.861 -168.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -98.96 -52.04 3.68 Favored 'General case' 0 N--CA 1.44 -0.94 0 O-C-N 120.502 -1.374 . . . . 0.0 109.662 146.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.22 70.2 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 125.982 1.713 . . . . 0.0 114.684 -172.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.3 -46.85 69.17 Favored 'General case' 0 N--CA 1.442 -0.843 0 CA-C-O 123.698 1.713 . . . . 0.0 111.837 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG21 ' CB ' ' D' ' 87' ' ' PHE . 18.1 mm -72.43 -39.43 62.62 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.714 0 CA-C-N 114.46 -1.246 . . . . 0.0 109.696 -169.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -71.97 -22.0 61.5 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 126.022 1.729 . . . . 0.0 112.467 -176.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -71.03 -64.34 0.93 Allowed 'General case' 0 N--CA 1.446 -0.673 0 C-N-CA 123.381 0.672 . . . . 0.0 111.297 156.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.511 HG22 ' HA ' ' A' ' 9' ' ' ILE . 3.9 tt -65.05 -41.19 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -163.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.5 -30.38 71.14 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 119.813 1.188 . . . . 0.0 113.205 177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.66 -35.41 52.43 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.735 1.214 . . . . 0.0 112.714 176.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.3 mt -68.54 -39.31 80.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.712 0 C-N-CA 125.63 1.572 . . . . 0.0 109.267 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 46.3 mt -58.48 -45.81 89.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 127.207 2.203 . . . . 0.0 112.924 169.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -59.61 -24.36 63.74 Favored 'General case' 0 N--CA 1.442 -0.842 0 C-N-CA 125.949 1.7 . . . . 0.0 114.415 174.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -85.08 -49.04 8.61 Favored 'General case' 0 C--O 1.21 -1.003 0 C-N-CA 125.126 1.37 . . . . 0.0 111.866 168.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.62 -42.83 93.18 Favored Glycine 0 C--O 1.199 -2.059 0 CA-C-N 119.599 1.09 . . . . 0.0 115.21 -175.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.65 39.42 48.93 Favored Glycine 0 C--O 1.203 -1.821 0 CA-C-N 119.829 1.815 . . . . 0.0 113.301 -171.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.505 ' CB ' HG21 ' D' ' 75' ' ' ILE . 79.5 m-85 -54.89 -55.44 30.51 Favored 'General case' 0 C--O 1.19 -2.042 0 C-N-CA 126.087 1.755 . . . . 0.0 114.953 -174.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.624 0 O-C-N 119.253 -2.154 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.755 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.84 -3.63 1.69 Allowed 'General case' 0 N--CA 1.442 -0.856 0 C-N-CA 124.301 1.041 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -52.65 -33.17 45.74 Favored 'General case' 0 C--O 1.189 -2.129 0 O-C-N 120.783 -1.198 . . . . 0.0 113.891 160.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.39 -5.73 59.28 Favored 'General case' 0 C--N 1.308 -1.224 0 C-N-CA 128.328 2.651 . . . . 0.0 114.621 177.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.49 -54.64 43.05 Favored 'General case' 0 N--CA 1.442 -0.835 0 CA-C-O 116.49 -1.719 . . . . 0.0 114.132 -161.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.42 -36.45 33.06 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 120.868 1.667 . . . . 0.0 112.791 -177.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.85 97.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 O-C-N 119.887 -1.758 . . . . 0.0 112.564 175.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.68 64.01 Favored 'General case' 0 C--O 1.213 -0.837 0 C-N-CA 124.127 0.971 . . . . 0.0 111.454 -177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 8.4 mm -63.11 -50.89 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 C-N-CA 122.869 0.468 . . . . 0.0 111.052 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -60.23 -40.77 91.39 Favored 'General case' 0 C--O 1.201 -1.473 0 C-N-CA 124.833 1.253 . . . . 0.0 110.42 -177.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.36 -4.17 31.74 Favored 'General case' 0 C--O 1.215 -0.74 0 N-CA-C 115.275 1.583 . . . . 0.0 115.275 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.27 0.3 OUTLIER -121.54 -52.37 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.643 0 C-N-CA 125.684 1.594 . . . . 0.0 112.694 177.429 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.97 -32.63 67.45 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 122.078 2.217 . . . . 0.0 112.402 -172.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.0 -26.66 43.29 Favored 'General case' 0 N--CA 1.447 -0.613 0 O-C-N 120.494 -1.379 . . . . 0.0 110.732 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.8 mp -76.63 -39.55 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.725 0 O-C-N 119.789 -1.819 . . . . 0.0 109.151 175.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . . . . . . . . . 76.8 mt -56.03 -45.65 80.44 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.701 0 C-N-CA 124.936 1.294 . . . . 0.0 113.667 167.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.82 -26.36 65.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 C-N-CA 124.669 1.188 . . . . 0.0 112.609 177.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -81.94 -46.81 13.52 Favored 'General case' 0 C--O 1.199 -1.601 0 C-N-CA 124.934 1.293 . . . . 0.0 113.927 167.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.52 -54.68 11.88 Favored Glycine 0 C--O 1.212 -1.241 0 C-N-CA 126.149 1.833 . . . . 0.0 112.847 -171.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 77.86 50.75 6.24 Favored Glycine 0 N--CA 1.441 -1.028 0 O-C-N 120.483 -1.598 . . . . 0.0 112.306 -169.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.439 ' CB ' HG21 ' C' ' 53' ' ' ILE . 22.1 m-85 -57.49 -56.89 15.97 Favored 'General case' 0 N--CA 1.436 -1.169 0 C-N-CA 127.931 2.493 . . . . 0.0 113.168 -168.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.677 0 O-C-N 121.024 -1.048 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.205 -1.239 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.87 -6.92 6.69 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 116.046 1.869 . . . . 0.0 116.046 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 90.5 mttt -56.34 -27.59 56.37 Favored 'General case' 0 C--O 1.208 -1.101 0 C-N-CA 125.048 1.339 . . . . 0.0 114.208 162.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -80.45 -4.99 55.83 Favored 'General case' 0 N--CA 1.443 -0.815 0 C-N-CA 126.346 1.858 . . . . 0.0 114.639 172.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.87 -38.86 87.12 Favored 'General case' 0 N--CA 1.444 -0.731 0 O-C-N 120.825 -1.172 . . . . 0.0 112.919 -169.034 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.79 -19.94 63.06 Favored 'General case' 0 C--O 1.163 -3.477 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.37 -46.11 20.78 Favored 'General case' 0 C--N 1.298 -1.642 0 C-N-CA 127.39 2.276 . . . . 0.0 114.451 167.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.39 -45.08 23.28 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 123.601 1.667 . . . . 0.0 111.045 -169.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . 0.439 HG21 ' CB ' ' B' ' 43' ' ' PHE . 29.5 mm -69.83 -43.93 79.33 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.782 0 CA-C-N 114.411 -1.268 . . . . 0.0 110.271 -176.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -71.59 -18.99 62.19 Favored 'General case' 0 C--O 1.213 -0.83 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 -178.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -67.18 -68.26 0.39 Allowed 'General case' 0 N--CA 1.442 -0.839 0 CA-C-O 121.218 0.532 . . . . 0.0 110.991 156.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -65.28 -41.65 91.97 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.494 -160.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.01 -26.8 66.08 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 115.153 1.538 . . . . 0.0 115.153 177.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -83.93 -34.52 24.47 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 123.643 0.777 . . . . 0.0 112.108 175.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 74.0 mt -64.81 -41.37 91.99 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.665 0 C-N-CA 125.907 1.683 . . . . 0.0 109.428 171.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.474 ' HA ' ' CD1' ' C' ' 65' ' ' PHE . 25.2 mt -53.73 -46.16 61.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.736 0 C-N-CA 125.943 1.697 . . . . 0.0 114.919 168.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -63.91 -30.15 71.26 Favored 'General case' 0 N--CA 1.442 -0.858 0 O-C-N 123.625 0.578 . . . . 0.0 112.222 177.139 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -78.45 -42.19 30.64 Favored 'General case' 0 C--O 1.198 -1.645 0 C-N-CA 124.644 1.178 . . . . 0.0 113.32 172.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -63.69 -52.15 48.11 Favored Glycine 0 C--O 1.186 -2.845 0 C-N-CA 124.828 1.204 . . . . 0.0 115.502 174.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 90.66 30.97 10.72 Favored Glycine 0 C--O 1.206 -1.607 0 C-N-CA 126.15 1.834 . . . . 0.0 114.827 -172.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.474 ' CD1' ' HA ' ' C' ' 60' ' ' ILE . 87.3 m-85 -59.21 -56.66 19.36 Favored 'General case' 0 C--O 1.193 -1.876 0 C-N-CA 126.249 1.819 . . . . 0.0 113.452 -171.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.475 0 O-C-N 120.02 -1.675 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.213 -0.817 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.89 -1.92 0.34 Allowed 'General case' 0 N--CA 1.442 -0.858 0 N-CA-C 115.54 1.682 . . . . 0.0 115.54 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -52.59 -33.12 44.68 Favored 'General case' 0 C--O 1.207 -1.176 0 C-N-CA 125.454 1.502 . . . . 0.0 113.48 159.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.32 -3.43 55.33 Favored 'General case' 0 N--CA 1.441 -0.894 0 C-N-CA 128.726 2.81 . . . . 0.0 114.237 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.1 15.37 2.86 Favored 'General case' 0 N--CA 1.443 -0.782 0 N-CA-C 116.261 1.948 . . . . 0.0 116.261 -170.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -96.88 -54.07 3.32 Favored 'General case' 0 N--CA 1.442 -0.872 0 O-C-N 119.847 -1.783 . . . . 0.0 110.153 148.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -52.26 -43.56 64.45 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -175.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.47 -36.92 79.67 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-O 123.4 1.572 . . . . 0.0 111.328 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.505 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.2 mm -75.93 -41.42 39.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.751 0 CA-C-N 114.321 -1.308 . . . . 0.0 111.253 -176.548 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -72.58 -23.78 61.01 Favored 'General case' 0 N--CA 1.444 -0.764 0 O-C-N 120.948 -1.095 . . . . 0.0 112.545 -176.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.31 -74.85 0.07 Allowed 'General case' 0 N--CA 1.44 -0.957 0 CA-C-O 121.634 0.73 . . . . 0.0 110.647 152.051 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 2.0 tt -68.47 -39.28 80.47 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 O-C-N 120.306 -1.496 . . . . 0.0 112.28 -152.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.06 -28.27 66.38 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 119.98 1.264 . . . . 0.0 113.753 178.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.09 -36.17 55.89 Favored 'General case' 0 N--CA 1.446 -0.661 0 C-N-CA 124.933 1.293 . . . . 0.0 112.257 175.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 56.4 mt -69.36 -41.52 80.89 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 C-N-CA 124.043 0.937 . . . . 0.0 111.349 172.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.461 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 31.7 mt -55.28 -47.35 77.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 C-N-CA 125.478 1.511 . . . . 0.0 114.015 169.033 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -57.87 -28.47 64.19 Favored 'General case' 0 C--O 1.211 -0.968 0 C-N-CA 124.443 1.097 . . . . 0.0 111.914 174.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -85.02 -42.82 14.51 Favored 'General case' 0 C--O 1.196 -1.727 0 C-N-CA 126.158 1.783 . . . . 0.0 112.575 173.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -72.69 -38.28 57.12 Favored Glycine 0 C--O 1.209 -1.41 0 C-N-CA 127.073 2.273 . . . . 0.0 116.654 -177.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.98 36.55 40.98 Favored Glycine 0 C--O 1.201 -1.914 0 CA-C-N 120.411 2.106 . . . . 0.0 115.53 -176.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.514 ' CB ' HG21 ' A' ' 9' ' ' ILE . 57.3 m-85 -52.68 -53.34 48.78 Favored 'General case' 0 C--O 1.188 -2.169 0 C-N-CA 128.624 2.769 . . . . 0.0 115.694 -178.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.308 -1.225 0 O-C-N 118.968 -2.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.675 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 51.71 -129.04 2.34 Favored 'General case' 0 N--CA 1.437 -1.104 1 C-N-CA 132.11 4.164 . . . . 0.0 115.447 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -62.85 -36.66 83.97 Favored 'General case' 0 C--O 1.21 -0.977 0 N-CA-C 115.278 1.584 . . . . 0.0 115.278 -161.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.4 -3.54 37.58 Favored 'General case' 0 N--CA 1.441 -0.899 0 C-N-CA 126.198 1.799 . . . . 0.0 115.381 177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.43 -53.71 47.98 Favored 'General case' 0 N--CA 1.446 -0.647 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 -168.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.92 -48.07 76.35 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 121.768 2.076 . . . . 0.0 112.572 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -39.92 68.27 Favored 'General case' 0 C--O 1.209 -1.032 0 C-N-CA 126.189 1.795 . . . . 0.0 113.261 176.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.01 -49.63 11.54 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-O 123.712 1.72 . . . . 0.0 111.815 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mm -75.8 -32.4 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 C-N-CA 124.968 1.307 . . . . 0.0 111.129 -165.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt -61.28 -41.11 96.39 Favored 'General case' 0 C--O 1.201 -1.457 0 CA-C-N 118.693 0.678 . . . . 0.0 110.819 174.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.38 -5.96 12.64 Favored 'General case' 0 N--CA 1.445 -0.719 0 C-N-CA 126.902 2.081 . . . . 0.0 114.348 174.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -116.45 -49.99 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 126.166 1.786 . . . . 0.0 112.123 175.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.27 85.13 Favored 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 121.391 1.905 . . . . 0.0 113.465 -173.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -72.08 -23.11 61.29 Favored 'General case' 0 C--O 1.21 -1.011 0 C-N-CA 124.604 1.161 . . . . 0.0 112.544 174.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.561 HG21 ' HB2' ' B' ' 30' ' ' ALA . 1.8 mp -85.05 -38.75 13.49 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 125.571 1.549 . . . . 0.0 110.969 175.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 76.5 mt -52.27 -46.48 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 C-N-CA 126.909 2.083 . . . . 0.0 112.646 165.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -53.38 -29.46 34.74 Favored 'General case' 0 N--CA 1.439 -0.976 0 C-N-CA 127.576 2.35 . . . . 0.0 111.659 174.223 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.44 -51.82 5.51 Favored 'General case' 0 N--CA 1.443 -0.814 0 CA-C-N 120.951 1.705 . . . . 0.0 112.753 169.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.49 -49.68 54.65 Favored Glycine 0 C--O 1.199 -2.072 0 C-N-CA 125.316 1.436 . . . . 0.0 115.731 -171.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.18 59.72 2.68 Favored Glycine 0 N--CA 1.438 -1.169 0 C-N-CA 126.011 1.767 . . . . 0.0 113.234 -176.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' HB2' HG21 ' D' ' 75' ' ' ILE . 10.8 m-85 -65.15 -48.38 73.72 Favored 'General case' 0 C--O 1.205 -1.265 0 C-N-CA 128.15 2.58 . . . . 0.0 114.799 -163.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.312 -1.046 0 O-C-N 120.309 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.704 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.89 4.84 0.75 Allowed 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 90.3 mttt -56.31 -28.25 58.23 Favored 'General case' 0 C--O 1.207 -1.167 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 164.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.42 -8.19 57.34 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 128.116 2.566 . . . . 0.0 114.611 173.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.83 -43.37 58.95 Favored 'General case' 0 N--CA 1.44 -0.931 0 N-CA-C 116.095 1.887 . . . . 0.0 116.095 -161.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.43 -34.0 70.31 Favored 'General case' 0 C--O 1.168 -3.231 0 CA-C-N 119.3 0.954 . . . . 0.0 112.161 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -70.8 -44.03 67.46 Favored 'General case' 0 C--N 1.31 -1.148 0 O-C-N 119.63 -1.919 . . . . 0.0 112.296 170.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.561 ' HB2' HG21 ' A' ' 15' ' ' ILE . . . -72.98 -45.45 57.9 Favored 'General case' 0 N--CA 1.441 -0.882 0 O-C-N 119.568 -1.958 . . . . 0.0 111.73 -171.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.538 HG21 ' CB ' ' C' ' 65' ' ' PHE . 10.3 mm -76.72 -30.86 19.03 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.614 0 C-N-CA 125.734 1.614 . . . . 0.0 110.538 -173.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 54.8 mttt -62.36 -40.82 97.65 Favored 'General case' 0 C--O 1.19 -2.059 0 CA-C-N 118.366 0.53 . . . . 0.0 112.029 171.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.34 -6.91 26.86 Favored 'General case' 0 C--O 1.209 -1.07 0 C-N-CA 127.745 2.418 . . . . 0.0 116.066 170.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . 0.265 0.3 OUTLIER -108.72 -50.73 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 C-N-CA 126.944 2.098 . . . . 0.0 113.87 171.461 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.76 -35.75 80.83 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 121.762 2.074 . . . . 0.0 113.201 -174.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -71.8 -24.24 61.7 Favored 'General case' 0 C--O 1.211 -0.93 0 C-N-CA 125.137 1.375 . . . . 0.0 113.281 174.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 1.7 mp -88.15 -36.71 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 C-N-CA 126.056 1.743 . . . . 0.0 110.001 176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.409 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 70.2 mt -50.05 -44.39 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.706 0 O-C-N 119.255 -2.153 . . . . 0.0 113.311 163.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 13.6 tppt? -56.25 -28.58 59.02 Favored 'General case' 0 N--CA 1.444 -0.734 0 C-N-CA 125.533 1.533 . . . . 0.0 111.566 178.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -91.24 -38.7 12.52 Favored 'General case' 0 C--O 1.198 -1.624 0 C-N-CA 125.894 1.678 . . . . 0.0 114.244 172.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.07 -24.37 61.76 Favored Glycine 0 C--O 1.2 -2.012 0 C-N-CA 126.275 1.893 . . . . 0.0 116.176 -174.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 70.57 39.43 68.01 Favored Glycine 0 C--O 1.2 -1.988 0 CA-C-N 120.068 1.934 . . . . 0.0 115.085 175.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.409 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 55.7 m-85 -62.72 -58.13 8.55 Favored 'General case' 0 C--O 1.204 -1.294 0 C-N-CA 126.641 1.976 . . . . 0.0 115.02 -175.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.698 0 O-C-N 121.119 -0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.32 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . 51.72 13.9 0.25 Allowed 'General case' 0 C--O 1.215 -0.76 0 N-CA-C 117.353 2.353 . . . . 0.0 117.353 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -71.0 -23.44 62.19 Favored 'General case' 0 N--CA 1.446 -0.637 0 C-N-CA 125.832 1.653 . . . . 0.0 110.578 172.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.53 -16.63 60.82 Favored 'General case' 0 N--CA 1.446 -0.664 0 C-N-CA 127.52 2.328 . . . . 0.0 114.464 171.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.56 -46.14 27.6 Favored 'General case' 0 C--O 1.215 -0.716 0 N-CA-C 115.467 1.655 . . . . 0.0 115.467 -154.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.77 -50.84 71.08 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-N 119.862 1.21 . . . . 0.0 111.997 172.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.61 -29.08 70.37 Favored 'General case' 0 C--O 1.212 -0.876 0 O-C-N 120.868 -1.145 . . . . 0.0 113.103 177.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -68.55 -55.54 11.31 Favored 'General case' 0 N--CA 1.441 -0.879 0 O-C-N 119.833 -1.792 . . . . 0.0 110.328 173.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 24.4 mt -82.88 -18.69 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.687 0 C-N-CA 124.365 1.066 . . . . 0.0 112.88 -165.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -66.31 -19.74 65.9 Favored 'General case' 0 N--CA 1.446 -0.647 0 O-C-N 120.098 -1.626 . . . . 0.0 113.734 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.1 -60.8 2.21 Favored 'General case' 0 N--CA 1.44 -0.963 0 C-N-CA 124.218 1.007 . . . . 0.0 111.744 155.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 36.5 mm -67.11 -36.86 78.06 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.742 0 O-C-N 120.389 -1.445 . . . . 0.0 113.712 -163.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.93 -27.22 67.3 Favored 'General case' 0 C--O 1.212 -0.919 0 O-C-N 119.207 -2.183 . . . . 0.0 115.285 173.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.91 -35.77 37.39 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-O 121.88 0.847 . . . . 0.0 110.663 178.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 53.4 mt -66.0 -46.95 86.77 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 C-N-CA 127.351 2.261 . . . . 0.0 108.643 174.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.451 ' HA ' ' CE1' ' C' ' 65' ' ' PHE . 58.1 mt -53.48 -48.24 58.15 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 C-N-CA 125.908 1.683 . . . . 0.0 114.186 170.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 41.8 tptt -59.76 -26.61 65.83 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 179.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.85 -48.03 10.47 Favored 'General case' 0 N--CA 1.44 -0.945 0 O-C-N 120.339 -1.476 . . . . 0.0 113.816 166.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -80.54 -14.44 79.99 Favored Glycine 0 C--O 1.208 -1.476 0 N-CA-C 116.674 1.429 . . . . 0.0 116.674 -166.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 60.69 49.14 81.86 Favored Glycine 0 C--O 1.211 -1.298 0 CA-C-N 120.321 2.061 . . . . 0.0 114.086 174.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.538 ' CB ' HG21 ' B' ' 31' ' ' ILE . 12.4 m-85 -63.15 -39.69 95.41 Favored 'General case' 0 C--O 1.188 -2.141 0 C-N-CA 126.288 1.835 . . . . 0.0 114.283 -165.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.726 0 CA-C-N 120.438 1.472 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 50.38 6.04 0.02 OUTLIER 'General case' 0 N--CA 1.431 -1.408 0 C-N-CA 127.677 2.391 . . . . 0.0 116.588 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 41.1 mtmt -65.35 -36.65 84.68 Favored 'General case' 0 C--O 1.206 -1.203 0 O-C-N 120.114 -1.616 . . . . 0.0 111.331 176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -60.73 -18.79 56.68 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.188 1.795 . . . . 0.0 115.314 167.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -83.74 12.92 5.22 Favored 'General case' 0 N--CA 1.443 -0.809 0 O-C-N 119.907 -1.746 . . . . 0.0 114.522 -166.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -110.26 -58.18 2.11 Favored 'General case' 0 N--CA 1.44 -0.928 0 C-N-CA 125.119 1.368 . . . . 0.0 107.724 155.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -57.55 -40.35 78.68 Favored 'General case' 0 N--CA 1.439 -0.981 0 C-N-CA 126.052 1.741 . . . . 0.0 113.969 -172.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.23 -42.63 88.4 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 126.509 1.924 . . . . 0.0 109.895 179.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.447 HG21 ' HB2' ' A' ' 21' ' ' PHE . 10.0 mm -67.87 -42.54 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.709 0 C-N-CA 126.211 1.805 . . . . 0.0 109.836 -178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -66.77 -27.73 67.83 Favored 'General case' 0 C--O 1.212 -0.896 0 C-N-CA 124.989 1.315 . . . . 0.0 113.782 -178.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -64.92 -62.1 1.76 Allowed 'General case' 0 N--CA 1.444 -0.768 0 C-N-CA 124.524 1.129 . . . . 0.0 110.678 158.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -62.36 -42.34 95.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.886 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 -166.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.43 -30.95 71.42 Favored 'General case' 0 C--O 1.212 -0.907 0 O-C-N 119.672 -1.893 . . . . 0.0 114.234 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.53 -31.65 62.2 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 119.804 -1.81 . . . . 0.0 113.071 173.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 71.4 mt -71.74 -42.01 70.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.668 0 C-N-CA 126.899 2.08 . . . . 0.0 109.639 174.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.422 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 71.7 mt -57.64 -45.16 86.52 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 C-N-CA 127.5 2.32 . . . . 0.0 112.57 171.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -58.38 -25.59 62.23 Favored 'General case' 0 N--CA 1.442 -0.85 0 C-N-CA 124.985 1.314 . . . . 0.0 113.383 173.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -87.74 -44.85 10.84 Favored 'General case' 0 C--O 1.187 -2.206 0 O-C-N 120.714 -1.241 . . . . 0.0 114.041 169.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -86.34 -26.62 32.8 Favored Glycine 1 C--O 1.142 -5.647 0 CA-C-O 116.046 -2.53 . . . . 0.0 117.842 -166.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.25 62.08 4.41 Favored Glycine 0 C--O 1.203 -1.841 0 CA-C-N 123.486 3.643 . . . . 0.0 112.648 178.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.422 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 16.5 m-85 -76.61 -46.81 24.52 Favored 'General case' 0 C--O 1.176 -2.768 0 C-N-CA 128.091 2.556 . . . . 0.0 113.404 -169.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.407 0 O-C-N 119.041 -2.287 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.212 -0.919 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.03 3.06 0.04 OUTLIER 'General case' 0 N--CA 1.436 -1.156 0 C-N-CA 127.517 2.327 . . . . 0.0 117.167 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -58.75 -32.45 69.25 Favored 'General case' 0 N--CA 1.433 -1.293 0 C-N-CA 126.887 2.075 . . . . 0.0 111.765 172.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.78 -10.7 56.96 Favored 'General case' 0 N--CA 1.443 -0.777 0 C-N-CA 128.026 2.531 . . . . 0.0 114.411 179.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.56 -55.34 28.23 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-O 117.872 -1.061 . . . . 0.0 113.37 -164.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -49.21 -43.19 42.25 Favored 'General case' 0 N--CA 1.437 -1.092 0 N-CA-C 114.022 1.119 . . . . 0.0 114.022 177.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -32.68 72.93 Favored 'General case' 0 C--O 1.21 -1.023 0 C-N-CA 125.468 1.507 . . . . 0.0 114.919 173.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.452 ' HB1' HD11 ' B' ' 34' ' ' ILE . . . -78.54 -40.43 35.0 Favored 'General case' 0 N--CA 1.44 -0.972 0 CA-C-N 119.872 1.215 . . . . 0.0 111.969 174.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.7 mm -64.68 -50.95 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.778 0 O-C-N 121.528 -0.732 . . . . 0.0 111.599 177.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -74.52 -18.0 60.67 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -169.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.39 -76.97 0.06 Allowed 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 118.121 0.418 . . . . 0.0 111.591 148.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -64.45 -38.75 83.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 120.17 -1.581 . . . . 0.0 112.727 -157.086 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.44 -32.39 64.34 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-N 121.498 1.954 . . . . 0.0 112.277 -179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -73.15 -34.15 65.9 Favored 'General case' 0 N--CA 1.444 -0.747 0 C-N-CA 124.612 1.165 . . . . 0.0 112.622 174.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.6 mt -71.12 -40.66 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 C-N-CA 125.064 1.346 . . . . 0.0 108.952 174.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.458 ' HA ' ' CD1' ' A' ' 21' ' ' PHE . 37.5 mt -54.51 -48.66 69.7 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.819 0 C-N-CA 126.879 2.072 . . . . 0.0 112.912 168.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -56.8 -30.11 63.38 Favored 'General case' 0 C--O 1.206 -1.224 0 C-N-CA 125.027 1.331 . . . . 0.0 112.956 175.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -83.63 -41.65 17.57 Favored 'General case' 0 N--CA 1.44 -0.975 0 C-N-CA 125.664 1.586 . . . . 0.0 114.678 171.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.09 49.14 Favored Glycine 0 C--O 1.205 -1.707 0 C-N-CA 125.944 1.735 . . . . 0.0 113.956 -174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 94.97 26.5 12.5 Favored Glycine 0 C--O 1.214 -1.137 0 C-N-CA 126.049 1.785 . . . . 0.0 114.483 -177.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.499 ' CB ' HG21 ' D' ' 75' ' ' ILE . 27.1 m-85 -66.15 175.05 2.25 Favored 'General case' 0 C--O 1.174 -2.879 0 C-N-CA 126.658 1.983 . . . . 0.0 113.872 -179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.113 0 O-C-N 117.892 -3.005 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.21 -1.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.69 1.6 1.23 Allowed 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -48.91 -36.14 16.54 Favored 'General case' 0 N--CA 1.441 -0.876 0 CA-C-N 119.941 1.246 . . . . 0.0 112.172 159.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -87.08 -1.3 57.78 Favored 'General case' 0 N--CA 1.441 -0.892 0 C-N-CA 127.002 2.121 . . . . 0.0 115.254 -179.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.14 -53.78 53.63 Favored 'General case' 0 N--CA 1.443 -0.795 0 N-CA-C 115.411 1.634 . . . . 0.0 115.411 -171.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.42 -41.88 73.38 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 119.564 1.075 . . . . 0.0 111.806 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.3 -36.44 82.13 Favored 'General case' 0 C--O 1.191 -1.998 0 C-N-CA 125.062 1.345 . . . . 0.0 112.711 175.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -77.08 -44.44 30.61 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.514 1.961 . . . . 0.0 111.765 178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.532 HG21 ' CB ' ' C' ' 65' ' ' PHE . 5.4 mm -75.96 -37.35 33.96 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 C-N-CA 123.937 0.895 . . . . 0.0 110.454 -167.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -72.26 -21.17 61.42 Favored 'General case' 0 C--O 1.213 -0.828 0 C-N-CA 125.559 1.544 . . . . 0.0 112.725 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.12 -65.04 0.73 Allowed 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.831 -0.803 . . . . 0.0 108.831 158.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . 0.452 HD11 ' HB1' ' A' ' 8' ' ' ALA . 0.4 OUTLIER -68.13 -40.05 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.745 0 CA-C-O 118.427 -0.797 . . . . 0.0 112.63 -161.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.68 -31.59 72.88 Favored 'General case' 0 N--CA 1.442 -0.829 0 CA-C-N 120.098 1.317 . . . . 0.0 112.94 174.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -77.87 -37.04 49.1 Favored 'General case' 0 N--CA 1.442 -0.826 0 C-N-CA 124.969 1.308 . . . . 0.0 110.407 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.81 -40.28 88.48 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 C-N-CA 126.4 1.88 . . . . 0.0 109.019 171.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.494 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 31.0 mt -59.74 -52.16 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.628 0 O-C-N 118.706 -2.496 . . . . 0.0 112.142 172.175 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -54.57 -29.02 50.01 Favored 'General case' 0 N--CA 1.443 -0.822 0 C-N-CA 125.52 1.528 . . . . 0.0 112.492 177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.29 -38.96 17.0 Favored 'General case' 0 C--O 1.196 -1.728 0 N-CA-C 114.374 1.249 . . . . 0.0 114.374 170.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -79.88 -20.25 68.49 Favored Glycine 0 C--O 1.216 -0.999 0 C-N-CA 126.792 2.139 . . . . 0.0 118.395 -173.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.86 24.79 66.09 Favored Glycine 0 C--O 1.204 -1.764 0 CA-C-N 118.598 1.199 . . . . 0.0 114.229 172.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.494 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 95.2 m-85 -58.79 -30.21 67.41 Favored 'General case' 0 C--O 1.207 -1.173 0 C-N-CA 126.324 1.85 . . . . 0.0 115.46 179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.31 -1.133 0 O-C-N 120.375 -1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.362 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . 0.266 . . 50.78 10.58 0.07 Allowed 'General case' 0 N--CA 1.434 -1.267 0 N-CA-C 117.256 2.317 . . . . 0.0 117.256 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -65.41 -32.15 73.63 Favored 'General case' 0 C--O 1.189 -2.083 0 C-N-CA 126.023 1.729 . . . . 0.0 111.595 169.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . . . . . . . . . . . -73.18 -16.07 61.44 Favored 'General case' 0 N--CA 1.438 -1.075 0 C-N-CA 129.382 3.073 . . . . 0.0 113.515 173.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.06 -58.9 6.18 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 118.569 0.622 . . . . 0.0 112.083 -171.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.95 11.05 0.59 Allowed 'General case' 0 N--CA 1.442 -0.872 0 C-N-CA 125.662 1.585 . . . . 0.0 114.776 178.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.33 -58.74 2.28 Favored 'General case' 0 N--CA 1.444 -0.752 0 CA-C-N 120.937 1.699 . . . . 0.0 111.319 149.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.77 -62.36 1.75 Allowed 'General case' 0 N--CA 1.444 -0.749 0 C-N-CA 126.905 2.082 . . . . 0.0 115.21 -170.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.7 -22.24 16.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.815 0 O-C-N 120.038 -1.664 . . . . 0.0 111.498 -173.232 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.1 -38.73 56.59 Favored 'General case' 0 C--O 1.213 -0.816 0 C-N-CA 125.84 1.656 . . . . 0.0 109.873 -176.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.83 -53.79 52.41 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 123.992 0.807 . . . . 0.0 110.121 163.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.51 -38.65 76.36 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.771 0 O-C-N 121.17 -0.956 . . . . 0.0 113.018 -176.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.24 -35.07 75.74 Favored 'General case' 0 N--CA 1.441 -0.908 0 O-C-N 120.378 -1.451 . . . . 0.0 114.437 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.45 -39.9 74.06 Favored 'General case' 0 C--O 1.212 -0.882 0 C-N-CA 125.719 1.608 . . . . 0.0 111.415 174.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 42.7 mt -64.11 -46.62 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 128.837 2.855 . . . . 0.0 110.015 174.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . . . . . . . . . 72.5 mt -53.24 -46.9 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 127.256 2.222 . . . . 0.0 115.697 169.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -56.23 -26.98 53.27 Favored 'General case' 0 C--O 1.213 -0.838 0 O-C-N 124.704 1.252 . . . . 0.0 112.725 175.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -91.01 -39.36 12.26 Favored 'General case' 0 C--O 1.208 -1.121 0 C-N-CA 126.516 1.926 . . . . 0.0 114.781 166.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -83.16 -15.55 71.79 Favored Glycine 0 C--O 1.207 -1.543 0 C-N-CA 127.325 2.393 . . . . 0.0 118.36 -171.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 65.2 44.86 93.25 Favored Glycine 0 C--O 1.187 -2.801 0 CA-C-N 121.729 2.765 . . . . 0.0 114.191 167.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.532 ' CB ' HG21 ' B' ' 31' ' ' ILE . 58.6 m-85 -73.2 -50.12 24.25 Favored 'General case' 0 C--O 1.203 -1.373 0 C-N-CA 127.465 2.306 . . . . 0.0 113.624 -169.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.311 -1.07 0 O-C-N 120.022 -1.674 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.207 -1.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . 53.24 8.81 0.12 Allowed 'General case' 0 N--CA 1.443 -0.789 0 C-N-CA 126.742 2.017 . . . . 0.0 116.201 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -60.9 -30.1 69.98 Favored 'General case' 0 N--CA 1.443 -0.795 0 O-C-N 119.738 -1.851 . . . . 0.0 112.96 165.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.22 -7.22 22.2 Favored 'General case' 0 N--CA 1.441 -0.883 0 C-N-CA 127.804 2.442 . . . . 0.0 115.183 170.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -86.13 16.13 4.56 Favored 'General case' 0 C--N 1.32 -0.688 0 O-C-N 118.026 -2.921 . . . . 0.0 117.21 -166.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -102.02 -52.3 3.2 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.138 0.273 . . . . 0.0 110.887 147.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.84 -38.28 72.45 Favored 'General case' 0 C--O 1.204 -1.297 0 C-N-CA 125.935 1.694 . . . . 0.0 114.103 -173.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.51 -44.65 77.9 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 125.507 1.523 . . . . 0.0 110.741 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . 0.499 HG21 ' CB ' ' A' ' 21' ' ' PHE . 9.3 mm -64.83 -46.53 91.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 C-N-CA 125.633 1.573 . . . . 0.0 110.846 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -66.06 -26.42 67.49 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-O 117.957 -1.02 . . . . 0.0 113.23 -175.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.38 -64.43 0.86 Allowed 'General case' 0 N--CA 1.442 -0.854 0 C-N-CA 123.696 0.798 . . . . 0.0 111.973 159.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . . . . . . . . 0.295 0.2 OUTLIER -58.45 -49.98 80.33 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -170.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.29 17.82 0.6 Allowed 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 125.06 1.344 . . . . 0.0 114.082 179.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.33 -37.59 3.73 Favored 'General case' 0 N--CA 1.44 -0.95 0 C-N-CA 126.224 1.81 . . . . 0.0 111.866 159.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 42.7 mt -62.81 -31.21 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.674 0 O-C-N 119.236 -2.165 . . . . 0.0 110.543 171.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.452 ' HA ' ' CE2' ' D' ' 87' ' ' PHE . 1.2 mm -51.98 -56.18 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 C-N-CA 128.973 2.909 . . . . 0.0 112.833 168.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -67.89 -34.23 76.25 Favored 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 127.659 2.384 . . . . 0.0 113.562 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -73.66 -39.66 64.29 Favored 'General case' 0 N--CA 1.437 -1.094 0 C-N-CA 128.318 2.647 . . . . 0.0 113.084 169.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -73.91 -30.77 60.93 Favored Glycine 0 C--O 1.169 -3.927 0 C-N-CA 125.764 1.65 . . . . 0.0 114.098 -177.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 96.87 6.25 58.18 Favored Glycine 0 N--CA 1.418 -2.53 0 C-N-CA 126.885 2.184 . . . . 0.0 113.902 170.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' D' ' 82' ' ' ILE . 1.6 m-85 -60.26 -61.51 2.55 Favored 'General case' 0 C--O 1.201 -1.485 0 CA-C-N 118.152 0.976 . . . . 0.0 111.816 -177.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.3 -1.546 0 O-C-N 120.355 -1.465 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.218 -0.576 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.75 -0.74 2.32 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 114.728 1.381 . . . . 0.0 114.728 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -51.56 -34.16 35.59 Favored 'General case' 0 C--O 1.21 -0.979 0 C-N-CA 125.918 1.687 . . . . 0.0 112.182 160.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.02 -3.91 58.37 Favored 'General case' 0 N--CA 1.44 -0.961 0 C-N-CA 127.249 2.219 . . . . 0.0 114.615 178.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.08 -52.39 65.12 Favored 'General case' 0 N--CA 1.442 -0.825 0 CA-C-N 120.03 1.286 . . . . 0.0 111.886 -162.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -53.54 -36.53 61.91 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 120.023 1.283 . . . . 0.0 113.383 -177.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.46 -36.37 83.54 Favored 'General case' 0 N--CA 1.44 -0.947 0 N-CA-C 114.72 1.378 . . . . 0.0 114.72 172.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -77.6 -44.48 28.21 Favored 'General case' 0 N--CA 1.446 -0.667 0 C-N-CA 124.314 1.046 . . . . 0.0 110.909 179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG21 ' HB3' ' D' ' 87' ' ' PHE . 24.7 mm -68.9 -46.74 78.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.843 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.678 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.93 -23.91 60.75 Favored 'General case' 0 N--CA 1.446 -0.648 0 C-N-CA 123.181 0.593 . . . . 0.0 112.35 -170.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.17 -69.03 0.24 Allowed 'General case' 0 N--CA 1.442 -0.856 0 CA-C-O 122.538 1.161 . . . . 0.0 114.098 156.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . 0.283 4.3 tt -59.41 -53.66 45.12 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.914 0 O-C-N 120.855 -1.153 . . . . 0.0 113.263 -170.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -72.47 9.63 1.01 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 122.078 2.217 . . . . 0.0 115.339 -177.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -105.32 -40.69 5.75 Favored 'General case' 0 N--CA 1.443 -0.81 0 C-N-CA 126.975 2.11 . . . . 0.0 111.002 162.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.2 mt -64.66 -41.93 93.63 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.741 0 C-N-CA 127.498 2.319 . . . . 0.0 111.399 175.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.485 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 3.2 mm -40.51 -60.6 0.26 Allowed 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 C-N-CA 129.471 3.108 . . . . 0.0 111.26 170.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.4 mttt -66.92 -39.34 87.34 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 128.253 2.621 . . . . 0.0 113.923 -172.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.77 -32.84 70.09 Favored 'General case' 0 C--O 1.203 -1.379 0 C-N-CA 126.813 2.045 . . . . 0.0 112.087 173.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.93 -61.15 3.37 Favored Glycine 0 C--O 1.198 -2.153 0 O-C-N 120.671 -1.268 . . . . 0.0 112.804 177.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 121.04 3.03 10.94 Favored Glycine 0 N--CA 1.435 -1.408 0 C-N-CA 125.334 1.445 . . . . 0.0 115.381 -173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 16' ' ' ILE 0.32 0.0 OUTLIER -93.18 -7.31 45.65 Favored 'General case' 0 N--CA 1.425 -1.696 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 -174.528 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.297 0 O-C-N 121.032 -1.042 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.747 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.46 4.44 0.54 Allowed 'General case' 0 C--N 1.312 -1.032 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -51.66 -30.49 21.89 Favored 'General case' 0 C--O 1.211 -0.956 0 C-N-CA 125.195 1.398 . . . . 0.0 113.718 159.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ALA . . . . . . . . . . . . . . . -89.33 0.81 56.53 Favored 'General case' 0 C--N 1.316 -0.852 0 C-N-CA 127.698 2.399 . . . . 0.0 116.536 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -84.26 4.02 32.82 Favored 'General case' 0 C--O 1.213 -0.832 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 -168.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.88 -54.05 5.15 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 121.709 2.049 . . . . 0.0 108.998 150.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -40.88 79.53 Favored 'General case' 0 N--CA 1.443 -0.793 0 C-N-CA 126.304 1.841 . . . . 0.0 114.052 -170.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.4 -37.95 80.84 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-O 122.087 0.946 . . . . 0.0 112.182 -179.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.524 HG21 ' HB3' ' C' ' 65' ' ' PHE . 22.1 mm -82.09 -40.24 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 C-N-CA 125.571 1.549 . . . . 0.0 110.766 -174.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -78.93 -18.69 53.38 Favored 'General case' 0 N--CA 1.444 -0.748 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 -179.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.34 -76.55 0.05 OUTLIER 'General case' 0 N--CA 1.444 -0.726 0 CA-C-O 122.119 0.961 . . . . 0.0 111.272 145.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.66 -39.57 82.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.573 0 O-C-N 120.76 -1.213 . . . . 0.0 113.613 -153.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ALA . . . . . . . . . . . . . . . -69.38 -26.34 64.6 Favored 'General case' 0 C--O 1.212 -0.873 0 CA-C-N 120.547 1.522 . . . . 0.0 114.469 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.57 -33.98 27.91 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 126.168 1.787 . . . . 0.0 112.338 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.0 mt -70.19 -39.33 76.82 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.645 0 C-N-CA 126.236 1.814 . . . . 0.0 109.154 173.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ILE . . . . . 0.438 ' HA ' ' CD1' ' B' ' 43' ' ' PHE . 24.9 mt -56.86 -45.97 83.44 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.563 0 O-C-N 120.125 -1.609 . . . . 0.0 115.154 168.505 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' LYS . . . . . . . . . . . . . 1.4 tptt -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-O 118.304 -0.855 . . . . 0.0 112.668 174.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -82.55 -49.06 10.29 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 119.529 1.059 . . . . 0.0 112.841 171.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -61.13 -44.08 98.6 Favored Glycine 0 N--CA 1.434 -1.464 0 N-CA-C 116.94 1.536 . . . . 0.0 116.94 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLY . . . . . . . . . . . . . . . 76.08 41.85 25.98 Favored Glycine 0 C--O 1.207 -1.555 0 C-N-CA 126.432 1.968 . . . . 0.0 114.428 -172.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.438 ' CD1' ' HA ' ' B' ' 38' ' ' ILE . 84.5 m-85 -57.05 -33.95 67.75 Favored 'General case' 0 C--O 1.202 -1.443 0 C-N-CA 126.117 1.767 . . . . 0.0 115.157 -174.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.708 0 O-C-N 120.335 -1.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ACE . . . . . 0.426 ' H3 ' ' HB3' ' C' ' 48' ' ' ALA . . . . . . . . 0 C--O 1.206 -1.216 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' ALA . . . . . . . . . . . . . . . -44.81 -42.69 8.07 Favored 'General case' 0 C--O 1.185 -2.328 0 C-N-CA 126.831 2.052 . . . . 0.0 113.227 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -109.01 -13.92 14.64 Favored 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 127.874 2.47 . . . . 0.0 113.923 178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ALA . . . . . 0.426 ' HB3' ' H3 ' ' C' ' 45' ' ' ACE . . . -81.28 -9.07 59.83 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 115.165 1.543 . . . . 0.0 115.165 174.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ALA . . . . . . . . . . . . . . . -54.88 -60.59 3.16 Favored 'General case' 0 N--CA 1.44 -0.955 0 C-N-CA 124.958 1.303 . . . . 0.0 114.008 -166.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.47 -33.47 69.79 Favored 'General case' 0 C--O 1.205 -1.279 0 N-CA-C 114.839 1.422 . . . . 0.0 114.839 -179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.46 -28.4 63.92 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 124.889 1.276 . . . . 0.0 112.332 175.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' ALA . . . . . 0.401 ' HB1' HG13 ' D' ' 78' ' ' ILE . . . -74.81 -82.21 0.07 Allowed 'General case' 0 C--O 1.213 -0.858 0 CA-C-N 119.87 1.213 . . . . 0.0 112.039 161.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.23 -24.5 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 -155.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -36.84 12.73 Favored 'General case' 0 C--O 1.218 -0.591 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.101 -169.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ALA . . . . . . . . . . . . . . . -54.46 -48.08 72.19 Favored 'General case' 0 N--CA 1.443 -0.814 0 C-N-CA 123.976 0.91 . . . . 0.0 109.206 159.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.02 -35.87 74.98 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.766 0 O-C-N 120.332 -1.48 . . . . 0.0 114.193 178.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.41 -30.04 70.33 Favored 'General case' 0 C--O 1.204 -1.331 0 CA-C-N 120.039 1.291 . . . . 0.0 113.823 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ALA . . . . . . . . . . . . . . . -78.21 -35.09 48.95 Favored 'General case' 0 N--CA 1.445 -0.686 0 C-N-CA 125.87 1.668 . . . . 0.0 113.593 174.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ILE . . . . . . . . . . . . . 44.3 mt -68.93 -36.26 73.19 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 126.3 1.84 . . . . 0.0 111.057 170.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' ILE . . . . . 0.469 HG12 ' CD1' ' C' ' 65' ' ' PHE . 43.5 mt -60.05 -45.55 95.41 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.753 0 C-N-CA 126.68 1.992 . . . . 0.0 113.804 168.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -55.92 -26.04 45.85 Favored 'General case' 0 C--O 1.212 -0.917 0 C-N-CA 125.72 1.608 . . . . 0.0 113.156 173.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ALA . . . . . . . . . . . . . . . -90.64 -45.37 8.93 Favored 'General case' 0 C--O 1.191 -2.016 0 C-N-CA 125.849 1.659 . . . . 0.0 113.76 169.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' GLY . . . . . . . . . . . . . . . -75.05 -21.97 77.41 Favored Glycine 0 N--CA 1.434 -1.434 0 C-N-CA 126.42 1.962 . . . . 0.0 115.609 -171.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.71 26.97 61.73 Favored Glycine 0 C--O 1.203 -1.792 0 CA-C-N 121.957 2.878 . . . . 0.0 114.374 169.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' PHE . . . . . 0.524 ' HB3' HG21 ' B' ' 31' ' ' ILE . 70.5 m-85 -57.01 -67.38 0.32 Allowed 'General case' 0 C--O 1.197 -1.71 0 C-N-CA 128.16 2.584 . . . . 0.0 112.617 176.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.413 0 O-C-N 120.019 -1.676 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 67' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.184 -2.347 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 68' ' ' ALA . . . . . . . . . . . . . . . -120.03 71.76 0.91 Allowed 'General case' 0 N--CA 1.419 -2.005 0 C-N-CA 130.276 3.43 . . . . 0.0 111.802 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 69' ' ' LYS . . . . . . . . . . . . . 59.8 mtmt -58.86 -27.77 65.49 Favored 'General case' 0 N--CA 1.435 -1.218 0 O-C-N 120.37 -1.457 . . . . 0.0 114.212 169.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 70' ' ' ALA . . . . . . . . . . . . . . . -68.96 -1.98 8.72 Favored 'General case' 0 N--CA 1.433 -1.288 0 C-N-CA 127.406 2.283 . . . . 0.0 114.929 176.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 71' ' ' ALA . . . . . . . . . . . . . . . -80.92 18.93 0.92 Allowed 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -174.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 72' ' ' ALA . . . . . . . . . . . . . . . -111.67 -45.08 3.4 Favored 'General case' 0 N--CA 1.439 -0.977 0 C-N-CA 123.207 0.603 . . . . 0.0 111.824 150.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.01 -39.43 85.77 Favored 'General case' 0 N--CA 1.44 -0.932 0 C-N-CA 125.814 1.645 . . . . 0.0 115.354 -177.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 74' ' ' ALA . . . . . . . . . . . . . . . -68.77 -34.29 75.33 Favored 'General case' 0 C--O 1.21 -1.003 0 CA-C-O 121.525 0.679 . . . . 0.0 110.434 175.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 75' ' ' ILE . . . . . . . . . . . . . 15.8 mm -71.12 -44.36 74.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 C-N-CA 124.707 1.203 . . . . 0.0 111.837 -177.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 76' ' ' LYS . . . . . . . . . . . . . 28.7 mmmt -63.45 -33.76 76.26 Favored 'General case' 0 C--O 1.192 -1.971 0 C-N-CA 125.226 1.41 . . . . 0.0 112.01 175.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.7 1.54 26.1 Favored 'General case' 0 C--N 1.316 -0.863 0 C-N-CA 127.37 2.268 . . . . 0.0 115.661 170.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 78' ' ' ILE . . . . . 0.401 HG13 ' HB1' ' C' ' 52' ' ' ALA 0.252 16.4 tt -118.77 -51.32 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.624 0 CA-C-N 121.101 1.773 . . . . 0.0 113.293 167.158 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.74 -31.34 72.49 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 -171.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.08 58.65 Favored 'General case' 0 N--CA 1.444 -0.731 0 C-N-CA 124.74 1.216 . . . . 0.0 113.523 173.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 81' ' ' ILE . . . . . . . . . . . . . 1.4 mp -76.18 -41.25 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 C-N-CA 125.679 1.591 . . . . 0.0 107.669 176.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 82' ' ' ILE . . . . . 0.486 ' HA ' ' CD1' ' D' ' 87' ' ' PHE . 25.8 mt -54.68 -47.47 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.732 0 C-N-CA 127.082 2.153 . . . . 0.0 113.349 169.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 83' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -55.85 -30.49 61.55 Favored 'General case' 0 N--CA 1.443 -0.809 0 C-N-CA 125.459 1.503 . . . . 0.0 111.808 173.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 84' ' ' ALA . . . . . . . . . . . . . . . -89.92 -34.93 15.87 Favored 'General case' 0 C--O 1.202 -1.437 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 176.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 85' ' ' GLY . . . . . . . . . . . . . . . -79.79 -27.89 52.48 Favored Glycine 0 C--O 1.211 -1.308 0 O-C-N 120.527 -1.358 . . . . 0.0 114.322 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 86' ' ' GLY . . . . . . . . . . . . . . . 70.81 36.68 66.13 Favored Glycine 0 C--O 1.207 -1.591 0 CA-C-N 120.363 2.082 . . . . 0.0 112.681 176.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 87' ' ' PHE . . . . . 0.486 ' CD1' ' HA ' ' D' ' 82' ' ' ILE . 96.6 m-85 -55.08 -67.84 0.24 Allowed 'General case' 0 N--CA 1.438 -1.065 0 C-N-CA 127.262 2.225 . . . . 0.0 114.683 -175.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 88' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.896 0 O-C-N 120.227 -1.546 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_